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

C11H19N3 — CID 165479848

IUPAC1-[(1-methylcyclohexyl)methyl]pyrazol-4-amine
SMILESCC1(Cn2cc(N)cn2)CCCCC1
InChIInChI=1S/C11H19N3/c1-11(5-3-2-4-6-11)9-14-8-10(12)7-13-14/h7-8H,2-6,9,12H2,1H3
InChIKeyYYTLXAUKUVFFTE-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.44
Rot. Bonds2

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

1-[(1-methylcyclohexyl)methyl]pyrazol-4-amine (PubChem CID 165479848) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[(1-methylcyclohexyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(1-methylcyclohexyl)methyl]pyrazol-4-amine
PubChem CID165479848
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-[(1-methylcyclohexyl)methyl]pyrazol-4-amine
SMILESCC1(Cn2cc(N)cn2)CCCCC1
InChIInChI=1S/C11H19N3/c1-11(5-3-2-4-6-11)9-14-8-10(12)7-13-14/h7-8H,2-6,9,12H2,1H3
InChIKeyYYTLXAUKUVFFTE-UHFFFAOYSA-N
XLogP2.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylcyclohexyl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(1-methylcyclohexyl)methyl]pyrazol-4-amine (CID 165479848) is 1-[(1-methylcyclohexyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(1-methylcyclohexyl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(1-methylcyclohexyl)methyl]pyrazol-4-amine is CC1(Cn2cc(N)cn2)CCCCC1.
What is the InChIKey of 1-[(1-methylcyclohexyl)methyl]pyrazol-4-amine?
The InChIKey is YYTLXAUKUVFFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-11(5-3-2-4-6-11)9-14-8-10(12)7-13-14/h7-8H,2-6,9,12H2,1H3.
What are the key properties of 1-[(1-methylcyclohexyl)methyl]pyrazol-4-amine?
1-[(1-methylcyclohexyl)methyl]pyrazol-4-amine has a molecular weight of 193.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylcyclohexyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 165479848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).