1-(cyclopentylmethyl)-3-propan-2-ylpyrazol-5-amine

C12H21N3 — CID 66643369

IUPAC1-(cyclopentylmethyl)-3-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1cc(N)n(CC2CCCC2)n1
InChIInChI=1S/C12H21N3/c1-9(2)11-7-12(13)15(14-11)8-10-5-3-4-6-10/h7,9-10H,3-6,8,13H2,1-2H3
InChIKeyIFLPRPSDLSRITB-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.78
Rot. Bonds3

About 1-(cyclopentylmethyl)-3-propan-2-ylpyrazol-5-amine

1-(cyclopentylmethyl)-3-propan-2-ylpyrazol-5-amine (PubChem CID 66643369) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-3-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-3-propan-2-ylpyrazol-5-amine
PubChem CID66643369
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(cyclopentylmethyl)-3-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1cc(N)n(CC2CCCC2)n1
InChIInChI=1S/C12H21N3/c1-9(2)11-7-12(13)15(14-11)8-10-5-3-4-6-10/h7,9-10H,3-6,8,13H2,1-2H3
InChIKeyIFLPRPSDLSRITB-UHFFFAOYSA-N
XLogP2.78
TPSA43.84 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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-3-propan-2-ylpyrazol-5-amine?
The IUPAC name of 1-(cyclopentylmethyl)-3-propan-2-ylpyrazol-5-amine (CID 66643369) is 1-(cyclopentylmethyl)-3-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 1-(cyclopentylmethyl)-3-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 1-(cyclopentylmethyl)-3-propan-2-ylpyrazol-5-amine is CC(C)c1cc(N)n(CC2CCCC2)n1.
What is the InChIKey of 1-(cyclopentylmethyl)-3-propan-2-ylpyrazol-5-amine?
The InChIKey is IFLPRPSDLSRITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)11-7-12(13)15(14-11)8-10-5-3-4-6-10/h7,9-10H,3-6,8,13H2,1-2H3.
What are the key properties of 1-(cyclopentylmethyl)-3-propan-2-ylpyrazol-5-amine?
1-(cyclopentylmethyl)-3-propan-2-ylpyrazol-5-amine has a molecular weight of 207.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-3-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 66643369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).