N-methyl-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]methanamine

C12H21N3 — CID 64776111

IUPACN-methyl-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]methanamine
SMILESCNCc1cnn(C2CCC(C)CC2)c1
InChIInChI=1S/C12H21N3/c1-10-3-5-12(6-4-10)15-9-11(7-13-2)8-14-15/h8-10,12-13H,3-7H2,1-2H3
InChIKeyBDUIAUWWQHHISS-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.35
Rot. Bonds3

About N-methyl-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]methanamine

N-methyl-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]methanamine (PubChem CID 64776111) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-methyl-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]methanamine
PubChem CID64776111
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-methyl-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]methanamine
SMILESCNCc1cnn(C2CCC(C)CC2)c1
InChIInChI=1S/C12H21N3/c1-10-3-5-12(6-4-10)15-9-11(7-13-2)8-14-15/h8-10,12-13H,3-7H2,1-2H3
InChIKeyBDUIAUWWQHHISS-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]methanamine (CID 64776111) is N-methyl-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]methanamine is CNCc1cnn(C2CCC(C)CC2)c1.
What is the InChIKey of N-methyl-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]methanamine?
The InChIKey is BDUIAUWWQHHISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10-3-5-12(6-4-10)15-9-11(7-13-2)8-14-15/h8-10,12-13H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]methanamine?
N-methyl-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]methanamine has a molecular weight of 207.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 64776111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).