N-cyclobutyl-2-phenylpyrazol-3-amine

C13H15N3 — CID 141299953

IUPACN-cyclobutyl-2-phenylpyrazol-3-amine
SMILESc1ccc(-n2nccc2NC2CCC2)cc1
InChIInChI=1S/C13H15N3/c1-2-7-12(8-3-1)16-13(9-10-14-16)15-11-5-4-6-11/h1-3,7-11,15H,4-6H2
InChIKeyUCAUMHMLQDKKFR-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.84
Rot. Bonds3

About N-cyclobutyl-2-phenylpyrazol-3-amine

N-cyclobutyl-2-phenylpyrazol-3-amine (PubChem CID 141299953) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-cyclobutyl-2-phenylpyrazol-3-amine.

Molecular Properties

Compound NameN-cyclobutyl-2-phenylpyrazol-3-amine
PubChem CID141299953
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-cyclobutyl-2-phenylpyrazol-3-amine
SMILESc1ccc(-n2nccc2NC2CCC2)cc1
InChIInChI=1S/C13H15N3/c1-2-7-12(8-3-1)16-13(9-10-14-16)15-11-5-4-6-11/h1-3,7-11,15H,4-6H2
InChIKeyUCAUMHMLQDKKFR-UHFFFAOYSA-N
XLogP2.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-phenylpyrazol-3-amine?
The IUPAC name of N-cyclobutyl-2-phenylpyrazol-3-amine (CID 141299953) is N-cyclobutyl-2-phenylpyrazol-3-amine.
What is the SMILES notation for N-cyclobutyl-2-phenylpyrazol-3-amine?
The canonical SMILES for N-cyclobutyl-2-phenylpyrazol-3-amine is c1ccc(-n2nccc2NC2CCC2)cc1.
What is the InChIKey of N-cyclobutyl-2-phenylpyrazol-3-amine?
The InChIKey is UCAUMHMLQDKKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-7-12(8-3-1)16-13(9-10-14-16)15-11-5-4-6-11/h1-3,7-11,15H,4-6H2.
What are the key properties of N-cyclobutyl-2-phenylpyrazol-3-amine?
N-cyclobutyl-2-phenylpyrazol-3-amine has a molecular weight of 213.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-phenylpyrazol-3-amine is sourced from PubChem (CID 141299953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).