1,5-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine

C13H23N3 — CID 115868565

IUPAC1,5-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine
SMILESCc1cc(NCC2CCC(C)CC2)nn1C
InChIInChI=1S/C13H23N3/c1-10-4-6-12(7-5-10)9-14-13-8-11(2)16(3)15-13/h8,10,12H,4-7,9H2,1-3H3,(H,14,15)
InChIKeyIVIIURVGIXLTLC-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.97
Rot. Bonds3

About 1,5-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine

1,5-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine (PubChem CID 115868565) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1,5-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine
PubChem CID115868565
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1,5-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine
SMILESCc1cc(NCC2CCC(C)CC2)nn1C
InChIInChI=1S/C13H23N3/c1-10-4-6-12(7-5-10)9-14-13-8-11(2)16(3)15-13/h8,10,12H,4-7,9H2,1-3H3,(H,14,15)
InChIKeyIVIIURVGIXLTLC-UHFFFAOYSA-N
XLogP2.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine?
The IUPAC name of 1,5-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine (CID 115868565) is 1,5-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine?
The canonical SMILES for 1,5-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine is Cc1cc(NCC2CCC(C)CC2)nn1C.
What is the InChIKey of 1,5-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine?
The InChIKey is IVIIURVGIXLTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10-4-6-12(7-5-10)9-14-13-8-11(2)16(3)15-13/h8,10,12H,4-7,9H2,1-3H3,(H,14,15).
What are the key properties of 1,5-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine?
1,5-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine has a molecular weight of 221.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 115868565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).