3-bromo-4-[[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol

C24H28Br2Cl2N8O — CID 165108102

IUPAC3-bromo-4-[[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol
SMILESCn1cc(C(O)c2cn(CC3CC3)nc2Cl)c(Br)n1.Cn1cc(Cc2cn(CC3CC3)nc2Cl)c(Br)n1
InChIInChI=1S/C12H14BrClN4O.C12H14BrClN4/c1-17-5-8(11(13)15-17)10(19)9-6-18(16-12(9)14)4-7-2-3-7;1-17-6-9(11(13)15-17)4-10-7-18(16-12(10)14)5-8-2-3-8/h5-7,10,19H,2-4H2,1H3;6-8H,2-5H2,1H3
InChIKeyZMHZTNUZGRRSCZ-UHFFFAOYSA-N
MW675.26 g/mol
LogP5.56
Rot. Bonds8

About 3-bromo-4-[[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol

3-bromo-4-[[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol (PubChem CID 165108102) has the molecular formula C24H28Br2Cl2N8O and a molecular weight of 675.26 g/mol. Its IUPAC name is 3-bromo-4-[[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name3-bromo-4-[[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol
PubChem CID165108102
Molecular FormulaC24H28Br2Cl2N8O
Molecular Weight675.26 g/mol
Exact Mass672.01
IUPAC Name3-bromo-4-[[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol
SMILESCn1cc(C(O)c2cn(CC3CC3)nc2Cl)c(Br)n1.Cn1cc(Cc2cn(CC3CC3)nc2Cl)c(Br)n1
InChIInChI=1S/C12H14BrClN4O.C12H14BrClN4/c1-17-5-8(11(13)15-17)10(19)9-6-18(16-12(9)14)4-7-2-3-7;1-17-6-9(11(13)15-17)4-10-7-18(16-12(10)14)5-8-2-3-8/h5-7,10,19H,2-4H2,1H3;6-8H,2-5H2,1H3
InChIKeyZMHZTNUZGRRSCZ-UHFFFAOYSA-N
XLogP5.56
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.26
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-bromo-4-[[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

(3-Bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol
CID 164718550
3-Bromo-1-methyl-4-[[1-[(1-methylcyclopropyl)methyl]pyrazol-4-yl]methyl]pyrazole;(3-bromo-1-methylpyrazol-4-yl)-[1-[(1-methylcyclopropyl)methyl]pyrazol-4-yl]methanol
CID 164947797
(3-Bromo-1-tert-butylpyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanol
CID 164951066
3-Bromo-1-methyl-4-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazole;(3-bromo-1-methylpyrazol-4-yl)-[1-(2-methylpropyl)pyrazol-4-yl]methanol
CID 164982935
(5-Bromo-1-ethylpyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol;4-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-3-iodo-1-methylpyrazole
CID 164991821
3-Bromo-4-iodo-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol;3-chloro-1-(cyclopropylmethyl)pyrazole-4-carbaldehyde
CID 164997193
3-Chloro-1-ethyl-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole;(3-chloro-1-ethylpyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol
CID 164998582
3-Bromo-4-[[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methanol
CID 165001639
3-Bromo-1-ethyl-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]pyrazole;(3-bromo-1-ethylpyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol
CID 165016710
(5-Bromo-1-methylpyrazol-4-yl)-(1-ethyl-5-iodopyrazol-4-yl)methanol;4-[(5-bromo-1-methylpyrazol-4-yl)methyl]-1-ethyl-5-iodopyrazole
CID 165023217
3-Bromo-4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazole;[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol
CID 165027512
5-Chloro-4-[(1-ethylpyrazol-4-yl)methyl]-3-iodo-1-methylpyrazole;(5-chloro-3-iodo-1-methylpyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanol
CID 165032190

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol?
The IUPAC name of 3-bromo-4-[[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol (CID 165108102) is 3-bromo-4-[[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for 3-bromo-4-[[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol?
The canonical SMILES for 3-bromo-4-[[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol is Cn1cc(C(O)c2cn(CC3CC3)nc2Cl)c(Br)n1.Cn1cc(Cc2cn(CC3CC3)nc2Cl)c(Br)n1.
What is the InChIKey of 3-bromo-4-[[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol?
The InChIKey is ZMHZTNUZGRRSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN4O.C12H14BrClN4/c1-17-5-8(11(13)15-17)10(19)9-6-18(16-12(9)14)4-7-2-3-7;1-17-6-9(11(13)15-17)4-10-7-18(16-12(10)14)5-8-2-3-8/h5-7,10,19H,2-4H2,1H3;6-8H,2-5H2,1H3.
What are the key properties of 3-bromo-4-[[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol?
3-bromo-4-[[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol has a molecular weight of 675.26 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 165108102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).