N-cyclopentyl-2-phenylpyrazol-3-amine

C14H17N3 — CID 57245432

IUPACN-cyclopentyl-2-phenylpyrazol-3-amine
SMILESc1ccc(-n2nccc2NC2CCCC2)cc1
InChIInChI=1S/C14H17N3/c1-2-8-13(9-3-1)17-14(10-11-15-17)16-12-6-4-5-7-12/h1-3,8-12,16H,4-7H2
InChIKeyXCWMIZRSUWVTNC-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.23
Rot. Bonds3

About N-cyclopentyl-2-phenylpyrazol-3-amine

N-cyclopentyl-2-phenylpyrazol-3-amine (PubChem CID 57245432) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-cyclopentyl-2-phenylpyrazol-3-amine.

Molecular Properties

Compound NameN-cyclopentyl-2-phenylpyrazol-3-amine
PubChem CID57245432
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-cyclopentyl-2-phenylpyrazol-3-amine
SMILESc1ccc(-n2nccc2NC2CCCC2)cc1
InChIInChI=1S/C14H17N3/c1-2-8-13(9-3-1)17-14(10-11-15-17)16-12-6-4-5-7-12/h1-3,8-12,16H,4-7H2
InChIKeyXCWMIZRSUWVTNC-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-phenylpyrazol-3-amine?
The IUPAC name of N-cyclopentyl-2-phenylpyrazol-3-amine (CID 57245432) is N-cyclopentyl-2-phenylpyrazol-3-amine.
What is the SMILES notation for N-cyclopentyl-2-phenylpyrazol-3-amine?
The canonical SMILES for N-cyclopentyl-2-phenylpyrazol-3-amine is c1ccc(-n2nccc2NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-2-phenylpyrazol-3-amine?
The InChIKey is XCWMIZRSUWVTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-8-13(9-3-1)17-14(10-11-15-17)16-12-6-4-5-7-12/h1-3,8-12,16H,4-7H2.
What are the key properties of N-cyclopentyl-2-phenylpyrazol-3-amine?
N-cyclopentyl-2-phenylpyrazol-3-amine has a molecular weight of 227.31 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-phenylpyrazol-3-amine is sourced from PubChem (CID 57245432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).