1-(1-cycloheptylpyrazol-4-yl)-N-methylmethanamine

C12H21N3 — CID 61272922

IUPAC1-(1-cycloheptylpyrazol-4-yl)-N-methylmethanamine
SMILESCNCc1cnn(C2CCCCCC2)c1
InChIInChI=1S/C12H21N3/c1-13-8-11-9-14-15(10-11)12-6-4-2-3-5-7-12/h9-10,12-13H,2-8H2,1H3
InChIKeyCUGXEVOMSXZHIH-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.50
Rot. Bonds3

About 1-(1-cycloheptylpyrazol-4-yl)-N-methylmethanamine

1-(1-cycloheptylpyrazol-4-yl)-N-methylmethanamine (PubChem CID 61272922) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(1-cycloheptylpyrazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-cycloheptylpyrazol-4-yl)-N-methylmethanamine
PubChem CID61272922
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(1-cycloheptylpyrazol-4-yl)-N-methylmethanamine
SMILESCNCc1cnn(C2CCCCCC2)c1
InChIInChI=1S/C12H21N3/c1-13-8-11-9-14-15(10-11)12-6-4-2-3-5-7-12/h9-10,12-13H,2-8H2,1H3
InChIKeyCUGXEVOMSXZHIH-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]methanamine
CID 64776111
1-[1-(4-ethylcyclohexyl)pyrazol-4-yl]-N-methylmethanamine
CID 64776309
N-[(1-cycloheptylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 82930487
N-[(1-cyclopentylpyrazol-4-yl)methyl]ethanamine
CID 61271729
N-[(1-cyclohexylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
CID 62731768
1-cyclohexyl-4-(2-methylpropyl)pyrazole
CID 155207502
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine;hydrochloride
CID 126966107
N-[(1-cyclopentylpyrazol-4-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 122166265
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine
CID 122167731
N-[(1-cyclopentylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine
CID 122167733
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride
CID 126966593
N-[(1-cyclopentylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126966380

Frequently Asked Questions

What is the IUPAC name of 1-(1-cycloheptylpyrazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-cycloheptylpyrazol-4-yl)-N-methylmethanamine (CID 61272922) is 1-(1-cycloheptylpyrazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-cycloheptylpyrazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-cycloheptylpyrazol-4-yl)-N-methylmethanamine is CNCc1cnn(C2CCCCCC2)c1.
What is the InChIKey of 1-(1-cycloheptylpyrazol-4-yl)-N-methylmethanamine?
The InChIKey is CUGXEVOMSXZHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-13-8-11-9-14-15(10-11)12-6-4-2-3-5-7-12/h9-10,12-13H,2-8H2,1H3.
What are the key properties of 1-(1-cycloheptylpyrazol-4-yl)-N-methylmethanamine?
1-(1-cycloheptylpyrazol-4-yl)-N-methylmethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cycloheptylpyrazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 61272922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).