1-(1-cycloheptylpyrazol-4-yl)propan-1-amine

C13H23N3 — CID 82930973

IUPAC1-(1-cycloheptylpyrazol-4-yl)propan-1-amine
SMILESCCC(N)c1cnn(C2CCCCCC2)c1
InChIInChI=1S/C13H23N3/c1-2-13(14)11-9-15-16(10-11)12-7-5-3-4-6-8-12/h9-10,12-13H,2-8,14H2,1H3
InChIKeyCRSGWDGUZZCZQT-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.19
Rot. Bonds3

About 1-(1-cycloheptylpyrazol-4-yl)propan-1-amine

1-(1-cycloheptylpyrazol-4-yl)propan-1-amine (PubChem CID 82930973) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(1-cycloheptylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1-cycloheptylpyrazol-4-yl)propan-1-amine
PubChem CID82930973
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(1-cycloheptylpyrazol-4-yl)propan-1-amine
SMILESCCC(N)c1cnn(C2CCCCCC2)c1
InChIInChI=1S/C13H23N3/c1-2-13(14)11-9-15-16(10-11)12-7-5-3-4-6-8-12/h9-10,12-13H,2-8,14H2,1H3
InChIKeyCRSGWDGUZZCZQT-UHFFFAOYSA-N
XLogP3.19
TPSA43.84 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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopentylpyrazol-4-yl)ethanamine
CID 62727296
(1R)-1-(1-cyclopentylpyrazol-4-yl)ethanamine
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1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]propan-1-amine
CID 64728538
2-(1-cyclopropylpyrazol-4-yl)propan-1-amine
CID 84764977
1-(1-cyclohexyltriazol-4-yl)propan-1-amine
CID 106227983
(1R)-2-amino-1-(1-cyclobutylpyrazol-4-yl)ethanol
CID 165499325
1-cyclohexyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-methylpropan-2-amine
CID 155739616
1-cyclohexyl-4-(2-methylpropyl)pyrazole
CID 155207502
2-[1-(thian-4-yl)pyrazol-4-yl]propan-1-amine
CID 105483318
1-[1-(4-ethylcyclohexyl)pyrazol-4-yl]propan-1-ol
CID 64775504
2-(1-cyclopropylpyrazol-4-yl)butanoic acid
CID 84773136
1-cyclohexylpyrazol-4-amine;hydrochloride
CID 83814238

Frequently Asked Questions

What is the IUPAC name of 1-(1-cycloheptylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(1-cycloheptylpyrazol-4-yl)propan-1-amine (CID 82930973) is 1-(1-cycloheptylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(1-cycloheptylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(1-cycloheptylpyrazol-4-yl)propan-1-amine is CCC(N)c1cnn(C2CCCCCC2)c1.
What is the InChIKey of 1-(1-cycloheptylpyrazol-4-yl)propan-1-amine?
The InChIKey is CRSGWDGUZZCZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-2-13(14)11-9-15-16(10-11)12-7-5-3-4-6-8-12/h9-10,12-13H,2-8,14H2,1H3.
What are the key properties of 1-(1-cycloheptylpyrazol-4-yl)propan-1-amine?
1-(1-cycloheptylpyrazol-4-yl)propan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 3.19, 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)propan-1-amine is sourced from PubChem (CID 82930973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).