4-bromo-N-[(4-methylcyclohexyl)methyl]-5-propyl-1H-pyrazol-3-amine

C14H24BrN3 — CID 70919599

IUPAC4-bromo-N-[(4-methylcyclohexyl)methyl]-5-propyl-1H-pyrazol-3-amine
SMILESCCCc1[nH]nc(NCC2CCC(C)CC2)c1Br
InChIInChI=1S/C14H24BrN3/c1-3-4-12-13(15)14(18-17-12)16-9-11-7-5-10(2)6-8-11/h10-11H,3-9H2,1-2H3,(H2,16,17,18)
InChIKeyQVXORJPMGUTPGP-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.36
Rot. Bonds5

About 4-bromo-N-[(4-methylcyclohexyl)methyl]-5-propyl-1H-pyrazol-3-amine

4-bromo-N-[(4-methylcyclohexyl)methyl]-5-propyl-1H-pyrazol-3-amine (PubChem CID 70919599) has the molecular formula C14H24BrN3 and a molecular weight of 314.27 g/mol. Its IUPAC name is 4-bromo-N-[(4-methylcyclohexyl)methyl]-5-propyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-N-[(4-methylcyclohexyl)methyl]-5-propyl-1H-pyrazol-3-amine
PubChem CID70919599
Molecular FormulaC14H24BrN3
Molecular Weight314.27 g/mol
Exact Mass313.12
IUPAC Name4-bromo-N-[(4-methylcyclohexyl)methyl]-5-propyl-1H-pyrazol-3-amine
SMILESCCCc1[nH]nc(NCC2CCC(C)CC2)c1Br
InChIInChI=1S/C14H24BrN3/c1-3-4-12-13(15)14(18-17-12)16-9-11-7-5-10(2)6-8-11/h10-11H,3-9H2,1-2H3,(H2,16,17,18)
InChIKeyQVXORJPMGUTPGP-UHFFFAOYSA-N
XLogP4.36
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-methylcyclohexyl)methyl]-5-propyl-1H-pyrazol-3-amine?
The IUPAC name of 4-bromo-N-[(4-methylcyclohexyl)methyl]-5-propyl-1H-pyrazol-3-amine (CID 70919599) is 4-bromo-N-[(4-methylcyclohexyl)methyl]-5-propyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-bromo-N-[(4-methylcyclohexyl)methyl]-5-propyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-bromo-N-[(4-methylcyclohexyl)methyl]-5-propyl-1H-pyrazol-3-amine is CCCc1[nH]nc(NCC2CCC(C)CC2)c1Br.
What is the InChIKey of 4-bromo-N-[(4-methylcyclohexyl)methyl]-5-propyl-1H-pyrazol-3-amine?
The InChIKey is QVXORJPMGUTPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3/c1-3-4-12-13(15)14(18-17-12)16-9-11-7-5-10(2)6-8-11/h10-11H,3-9H2,1-2H3,(H2,16,17,18).
What are the key properties of 4-bromo-N-[(4-methylcyclohexyl)methyl]-5-propyl-1H-pyrazol-3-amine?
4-bromo-N-[(4-methylcyclohexyl)methyl]-5-propyl-1H-pyrazol-3-amine has a molecular weight of 314.27 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-methylcyclohexyl)methyl]-5-propyl-1H-pyrazol-3-amine is sourced from PubChem (CID 70919599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).