4-bromo-1-[(4-methylcyclohexyl)methyl]pyrazol-3-amine

C11H18BrN3 — CID 165483608

IUPAC4-bromo-1-[(4-methylcyclohexyl)methyl]pyrazol-3-amine
SMILESCC1CCC(Cn2cc(Br)c(N)n2)CC1
InChIInChI=1S/C11H18BrN3/c1-8-2-4-9(5-3-8)6-15-7-10(12)11(13)14-15/h7-9H,2-6H2,1H3,(H2,13,14)
InChIKeyWVCRKLPQVXZHIV-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.05
Rot. Bonds2

About 4-bromo-1-[(4-methylcyclohexyl)methyl]pyrazol-3-amine

4-bromo-1-[(4-methylcyclohexyl)methyl]pyrazol-3-amine (PubChem CID 165483608) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 4-bromo-1-[(4-methylcyclohexyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-[(4-methylcyclohexyl)methyl]pyrazol-3-amine
PubChem CID165483608
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name4-bromo-1-[(4-methylcyclohexyl)methyl]pyrazol-3-amine
SMILESCC1CCC(Cn2cc(Br)c(N)n2)CC1
InChIInChI=1S/C11H18BrN3/c1-8-2-4-9(5-3-8)6-15-7-10(12)11(13)14-15/h7-9H,2-6H2,1H3,(H2,13,14)
InChIKeyWVCRKLPQVXZHIV-UHFFFAOYSA-N
XLogP3.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-(oxan-3-ylmethyl)pyrazol-3-amine
CID 165473968
4-bromo-1-(methoxymethyl)pyrazol-3-amine
CID 65364325
4-bromo-1-(oxan-4-yloxymethyl)pyrazol-3-amine
CID 165481945
1-[(4-methylcyclohexyl)methyl]-1,2,4-triazole
CID 130166985
4-bromo-1-(cyclopropylmethyl)-3-[(2S)-3-fluorobutan-2-yl]oxypyrazole
CID 174270852
4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-amine
CID 82892603
1-(3-amino-4-bromopyrazol-1-yl)propan-2-ol
CID 65277437
4-bromo-1-(3-ethylsulfonylpropyl)pyrazol-3-amine
CID 65093221
4-bromo-3-iodo-1-(oxan-4-ylmethyl)pyrazole
CID 79784324
4-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyrazol-3-amine
CID 106438393
3-amino-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-4-sulfonamide
CID 63242904
3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide
CID 63242905

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(4-methylcyclohexyl)methyl]pyrazol-3-amine?
The IUPAC name of 4-bromo-1-[(4-methylcyclohexyl)methyl]pyrazol-3-amine (CID 165483608) is 4-bromo-1-[(4-methylcyclohexyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-[(4-methylcyclohexyl)methyl]pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-[(4-methylcyclohexyl)methyl]pyrazol-3-amine is CC1CCC(Cn2cc(Br)c(N)n2)CC1.
What is the InChIKey of 4-bromo-1-[(4-methylcyclohexyl)methyl]pyrazol-3-amine?
The InChIKey is WVCRKLPQVXZHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-8-2-4-9(5-3-8)6-15-7-10(12)11(13)14-15/h7-9H,2-6H2,1H3,(H2,13,14).
What are the key properties of 4-bromo-1-[(4-methylcyclohexyl)methyl]pyrazol-3-amine?
4-bromo-1-[(4-methylcyclohexyl)methyl]pyrazol-3-amine has a molecular weight of 272.19 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(4-methylcyclohexyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 165483608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).