(3-amino-5-phenylpyrazol-1-yl)-cyclobutylmethanone

C14H15N3O — CID 110868208

IUPAC(3-amino-5-phenylpyrazol-1-yl)-cyclobutylmethanone
SMILESNc1cc(-c2ccccc2)n(C(=O)C2CCC2)n1
InChIInChI=1S/C14H15N3O/c15-13-9-12(10-5-2-1-3-6-10)17(16-13)14(18)11-7-4-8-11/h1-3,5-6,9,11H,4,7-8H2,(H2,15,16)
InChIKeyZQXFRZFWCBLOHD-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.57
Rot. Bonds2

About (3-amino-5-phenylpyrazol-1-yl)-cyclobutylmethanone

(3-amino-5-phenylpyrazol-1-yl)-cyclobutylmethanone (PubChem CID 110868208) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is (3-amino-5-phenylpyrazol-1-yl)-cyclobutylmethanone.

Molecular Properties

Compound Name(3-amino-5-phenylpyrazol-1-yl)-cyclobutylmethanone
PubChem CID110868208
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name(3-amino-5-phenylpyrazol-1-yl)-cyclobutylmethanone
SMILESNc1cc(-c2ccccc2)n(C(=O)C2CCC2)n1
InChIInChI=1S/C14H15N3O/c15-13-9-12(10-5-2-1-3-6-10)17(16-13)14(18)11-7-4-8-11/h1-3,5-6,9,11H,4,7-8H2,(H2,15,16)
InChIKeyZQXFRZFWCBLOHD-UHFFFAOYSA-N
XLogP2.57
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-5-phenylpyrazole-1-carboxylate
CID 110868199
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2-amino-5-[3-(cyclobutanecarbonylamino)phenyl]imidazole-1-carboxylic acid
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cyclobutyl-[4-(3-phenylbenzoyl)-1,4-diazepan-1-yl]methanone
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2-[(1R,5S)-3-(cyclobutanecarbonyl)-3-azabicyclo[3.3.1]nonan-9-yl]-6-phenylpyridazin-3-one
CID 92575659
cyclopropyl-(1-methyl-5-phenylimidazol-2-yl)methanone
CID 177240956
cyclobutyl-[(1S,5R)-6-(3-phenylbenzoyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 72859947
1-cyclobutyl-3-phenylpyrazol-5-amine
CID 56604603
cyclohexanecarboxylic acid;4-phenylbenzaldehyde
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3,5-diaminopyrazole-1-carboxylic acid
CID 67419076

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-phenylpyrazol-1-yl)-cyclobutylmethanone?
The IUPAC name of (3-amino-5-phenylpyrazol-1-yl)-cyclobutylmethanone (CID 110868208) is (3-amino-5-phenylpyrazol-1-yl)-cyclobutylmethanone.
What is the SMILES notation for (3-amino-5-phenylpyrazol-1-yl)-cyclobutylmethanone?
The canonical SMILES for (3-amino-5-phenylpyrazol-1-yl)-cyclobutylmethanone is Nc1cc(-c2ccccc2)n(C(=O)C2CCC2)n1.
What is the InChIKey of (3-amino-5-phenylpyrazol-1-yl)-cyclobutylmethanone?
The InChIKey is ZQXFRZFWCBLOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-13-9-12(10-5-2-1-3-6-10)17(16-13)14(18)11-7-4-8-11/h1-3,5-6,9,11H,4,7-8H2,(H2,15,16).
What are the key properties of (3-amino-5-phenylpyrazol-1-yl)-cyclobutylmethanone?
(3-amino-5-phenylpyrazol-1-yl)-cyclobutylmethanone has a molecular weight of 241.29 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-phenylpyrazol-1-yl)-cyclobutylmethanone is sourced from PubChem (CID 110868208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).