5-N-[(4-bromophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine

C15H21BrN4 — CID 66027246

IUPAC5-N-[(4-bromophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H21BrN4/c1-4-9-20-15(14(17)11(2)18-20)19(3)10-12-5-7-13(16)8-6-12/h5-8H,4,9-10,17H2,1-3H3
InChIKeyQRJUEQMTJTUOAL-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.58
Rot. Bonds5

About 5-N-[(4-bromophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine

5-N-[(4-bromophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine (PubChem CID 66027246) has the molecular formula C15H21BrN4 and a molecular weight of 337.26 g/mol. Its IUPAC name is 5-N-[(4-bromophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[(4-bromophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
PubChem CID66027246
Molecular FormulaC15H21BrN4
Molecular Weight337.26 g/mol
Exact Mass336.09
IUPAC Name5-N-[(4-bromophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H21BrN4/c1-4-9-20-15(14(17)11(2)18-20)19(3)10-12-5-7-13(16)8-6-12/h5-8H,4,9-10,17H2,1-3H3
InChIKeyQRJUEQMTJTUOAL-UHFFFAOYSA-N
XLogP3.58
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[(4-methoxyphenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
CID 66027633
5-N-[(3-fluorophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
CID 66028752
5-N,3-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrazole-4,5-diamine
CID 66027619
5-N-[(5-chlorothiophen-2-yl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
CID 66029760
5-N,3-dimethyl-5-N-pentyl-1-propylpyrazole-4,5-diamine
CID 66027038
5-N,3-dimethyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66027818
5-N-ethyl-3-methyl-5-N-(4-methylphenyl)-1-propylpyrazole-4,5-diamine
CID 66029003
5-N,3-dimethyl-1-propyl-5-N-(2-pyrrolidin-1-ylethyl)pyrazole-4,5-diamine
CID 66029209
1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride
CID 90484280
5-N,3-dimethyl-5-N-[(1-methylpyrrolidin-3-yl)methyl]-1-propylpyrazole-4,5-diamine
CID 66027665
3-ethyl-5-N,1-dimethyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine
CID 66015159
3-methyl-5-N-propan-2-yl-1-propyl-5-N-(thiophen-2-ylmethyl)pyrazole-4,5-diamine
CID 66028019

Frequently Asked Questions

What is the IUPAC name of 5-N-[(4-bromophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[(4-bromophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine (CID 66027246) is 5-N-[(4-bromophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[(4-bromophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[(4-bromophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine is CCCn1nc(C)c(N)c1N(C)Cc1ccc(Br)cc1.
What is the InChIKey of 5-N-[(4-bromophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine?
The InChIKey is QRJUEQMTJTUOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4/c1-4-9-20-15(14(17)11(2)18-20)19(3)10-12-5-7-13(16)8-6-12/h5-8H,4,9-10,17H2,1-3H3.
What are the key properties of 5-N-[(4-bromophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine?
5-N-[(4-bromophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine has a molecular weight of 337.26 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-bromophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66027246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).