2-methyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine

C12H21N3 — CID 115868560

IUPAC2-methyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine
SMILESCC1CCC(CNc2ccnn2C)CC1
InChIInChI=1S/C12H21N3/c1-10-3-5-11(6-4-10)9-13-12-7-8-14-15(12)2/h7-8,10-11,13H,3-6,9H2,1-2H3
InChIKeyNQSYZOYNOJJXLF-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.66
Rot. Bonds3

About 2-methyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine

2-methyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine (PubChem CID 115868560) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine
PubChem CID115868560
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-methyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine
SMILESCC1CCC(CNc2ccnn2C)CC1
InChIInChI=1S/C12H21N3/c1-10-3-5-11(6-4-10)9-13-12-7-8-14-15(12)2/h7-8,10-11,13H,3-6,9H2,1-2H3
InChIKeyNQSYZOYNOJJXLF-UHFFFAOYSA-N
XLogP2.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine?
The IUPAC name of 2-methyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine (CID 115868560) is 2-methyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 2-methyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine?
The canonical SMILES for 2-methyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine is CC1CCC(CNc2ccnn2C)CC1.
What is the InChIKey of 2-methyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine?
The InChIKey is NQSYZOYNOJJXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10-3-5-11(6-4-10)9-13-12-7-8-14-15(12)2/h7-8,10-11,13H,3-6,9H2,1-2H3.
What are the key properties of 2-methyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine?
2-methyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine has a molecular weight of 207.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 115868560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).