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

C26H34Br2N8O — CID 164947797

IUPAC3-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
SMILESCn1cc(C(O)c2cnn(CC3(C)CC3)c2)c(Br)n1.Cn1cc(Cc2cnn(CC3(C)CC3)c2)c(Br)n1
InChIInChI=1S/C13H17BrN4O.C13H17BrN4/c1-13(3-4-13)8-18-6-9(5-15-18)11(19)10-7-17(2)16-12(10)14;1-13(3-4-13)9-18-7-10(6-15-18)5-11-8-17(2)16-12(11)14/h5-7,11,19H,3-4,8H2,1-2H3;6-8H,3-5,9H2,1-2H3
InChIKeyACTHFEIAEIIXMW-UHFFFAOYSA-N
MW634.42 g/mol
LogP5.03
Rot. Bonds8

About 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

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 (PubChem CID 164947797) has the molecular formula C26H34Br2N8O and a molecular weight of 634.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID164947797
Molecular FormulaC26H34Br2N8O
Molecular Weight634.42 g/mol
Exact Mass632.12
IUPAC Name3-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
SMILESCn1cc(C(O)c2cnn(CC3(C)CC3)c2)c(Br)n1.Cn1cc(Cc2cnn(CC3(C)CC3)c2)c(Br)n1
InChIInChI=1S/C13H17BrN4O.C13H17BrN4/c1-13(3-4-13)8-18-6-9(5-15-18)11(19)10-7-17(2)16-12(10)14;1-13(3-4-13)9-18-7-10(6-15-18)5-11-8-17(2)16-12(11)14/h5-7,11,19H,3-4,8H2,1-2H3;6-8H,3-5,9H2,1-2H3
InChIKeyACTHFEIAEIIXMW-UHFFFAOYSA-N
XLogP5.03
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.42
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-Bromo-1-ethylpyrazol-4-yl)-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol
CID 164718961
(3-Bromo-1-methylpyrazol-4-yl)-[1-(2-methylpropyl)pyrazol-4-yl]methanol
CID 164719068
(3-Bromo-1-methylpyrazol-4-yl)-[1-[(1-methylcyclopropyl)methyl]pyrazol-4-yl]methanol
CID 164719223
(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-[[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-iodopyrazole;(3-bromo-1-ethylpyrazol-4-yl)-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol;1-(cyclopropylmethyl)pyrazole-4-carbaldehyde
CID 165014275
5-Bromo-1-ethyl-4-iodopyrazole;(5-bromo-1-ethylpyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol;3-iodo-1-methylpyrazole-4-carbaldehyde
CID 165016579
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1cc(C(O)c2cnn(CC3(C)CC3)c2)c(Br)n1.Cn1cc(Cc2cnn(CC3(C)CC3)c2)c(Br)n1.
What is the InChIKey of 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?
The InChIKey is ACTHFEIAEIIXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O.C13H17BrN4/c1-13(3-4-13)8-18-6-9(5-15-18)11(19)10-7-17(2)16-12(10)14;1-13(3-4-13)9-18-7-10(6-15-18)5-11-8-17(2)16-12(11)14/h5-7,11,19H,3-4,8H2,1-2H3;6-8H,3-5,9H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 634.42 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164947797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).