N-[(1-cycloheptylpyrazol-4-yl)methyl]-2-methylpropan-2-amine

C15H27N3 — CID 82930487

IUPACN-[(1-cycloheptylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnn(C2CCCCCC2)c1
InChIInChI=1S/C15H27N3/c1-15(2,3)16-10-13-11-17-18(12-13)14-8-6-4-5-7-9-14/h11-12,14,16H,4-10H2,1-3H3
InChIKeyMJJCNCILXNTNBG-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.67
Rot. Bonds3

About N-[(1-cycloheptylpyrazol-4-yl)methyl]-2-methylpropan-2-amine

N-[(1-cycloheptylpyrazol-4-yl)methyl]-2-methylpropan-2-amine (PubChem CID 82930487) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(1-cycloheptylpyrazol-4-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-cycloheptylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
PubChem CID82930487
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[(1-cycloheptylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnn(C2CCCCCC2)c1
InChIInChI=1S/C15H27N3/c1-15(2,3)16-10-13-11-17-18(12-13)14-8-6-4-5-7-9-14/h11-12,14,16H,4-10H2,1-3H3
InChIKeyMJJCNCILXNTNBG-UHFFFAOYSA-N
XLogP3.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cycloheptylpyrazol-4-yl)-N-methylmethanamine
CID 61272922
2-methyl-N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 63564017
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]-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]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126966380
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride
CID 126966593
N-[(1-cyclopentylpyrazol-4-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 122166265
1-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 122166829

Frequently Asked Questions

What is the IUPAC name of N-[(1-cycloheptylpyrazol-4-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(1-cycloheptylpyrazol-4-yl)methyl]-2-methylpropan-2-amine (CID 82930487) is N-[(1-cycloheptylpyrazol-4-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(1-cycloheptylpyrazol-4-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(1-cycloheptylpyrazol-4-yl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnn(C2CCCCCC2)c1.
What is the InChIKey of N-[(1-cycloheptylpyrazol-4-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is MJJCNCILXNTNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-15(2,3)16-10-13-11-17-18(12-13)14-8-6-4-5-7-9-14/h11-12,14,16H,4-10H2,1-3H3.
What are the key properties of N-[(1-cycloheptylpyrazol-4-yl)methyl]-2-methylpropan-2-amine?
N-[(1-cycloheptylpyrazol-4-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cycloheptylpyrazol-4-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82930487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).