N-(1-cyclopropyl-3-phenylpyrazol-5-yl)bicyclo[1.1.0]butane-1-carboxamide

C17H17N3O — CID 167934599

IUPACN-(1-cyclopropyl-3-phenylpyrazol-5-yl)bicyclo[1.1.0]butane-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1C1CC1)C12CC1C2
InChIInChI=1S/C17H17N3O/c21-16(17-9-12(17)10-17)18-15-8-14(11-4-2-1-3-5-11)19-20(15)13-6-7-13/h1-5,8,12-13H,6-7,9-10H2,(H,18,21)
InChIKeyOAKLGCRNMQSKEV-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.23
Rot. Bonds4

About N-(1-cyclopropyl-3-phenylpyrazol-5-yl)bicyclo[1.1.0]butane-1-carboxamide

N-(1-cyclopropyl-3-phenylpyrazol-5-yl)bicyclo[1.1.0]butane-1-carboxamide (PubChem CID 167934599) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(1-cyclopropyl-3-phenylpyrazol-5-yl)bicyclo[1.1.0]butane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-3-phenylpyrazol-5-yl)bicyclo[1.1.0]butane-1-carboxamide
PubChem CID167934599
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(1-cyclopropyl-3-phenylpyrazol-5-yl)bicyclo[1.1.0]butane-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1C1CC1)C12CC1C2
InChIInChI=1S/C17H17N3O/c21-16(17-9-12(17)10-17)18-15-8-14(11-4-2-1-3-5-11)19-20(15)13-6-7-13/h1-5,8,12-13H,6-7,9-10H2,(H,18,21)
InChIKeyOAKLGCRNMQSKEV-UHFFFAOYSA-N
XLogP3.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-[1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazol-5-yl]-3-phenylprop-2-enamide
CID 17015994
2-(4-chlorophenoxy)-N-[1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazol-5-yl]acetamide
CID 56729335
2-(3,4-dimethylphenoxy)-N-[1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazol-5-yl]acetamide
CID 51065230
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-phenylphenyl)acetamide
CID 155523538
1-cyclobutyl-3-phenylpyrazol-5-amine
CID 56604603
6-phenyl-2-piperidin-4-ylpyridazin-3-one
CID 82105182
1-[(4-fluorophenyl)methyl]-3-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea
CID 74924600
N-[1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazol-5-yl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135778451
2-[4-(aminomethyl)cyclohexyl]-3-oxo-6-phenylpyridazine-4-carboxamide
CID 143706047
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-phenyltriazol-1-yl)acetamide
CID 155526355
1-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-phenylurea
CID 74924709
1-[(4-fluorophenyl)methyl]-3-[1-(4-oxo-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidin-2-yl)-3-phenylpyrazol-5-yl]urea
CID 74924992

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-3-phenylpyrazol-5-yl)bicyclo[1.1.0]butane-1-carboxamide?
The IUPAC name of N-(1-cyclopropyl-3-phenylpyrazol-5-yl)bicyclo[1.1.0]butane-1-carboxamide (CID 167934599) is N-(1-cyclopropyl-3-phenylpyrazol-5-yl)bicyclo[1.1.0]butane-1-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-3-phenylpyrazol-5-yl)bicyclo[1.1.0]butane-1-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-3-phenylpyrazol-5-yl)bicyclo[1.1.0]butane-1-carboxamide is O=C(Nc1cc(-c2ccccc2)nn1C1CC1)C12CC1C2.
What is the InChIKey of N-(1-cyclopropyl-3-phenylpyrazol-5-yl)bicyclo[1.1.0]butane-1-carboxamide?
The InChIKey is OAKLGCRNMQSKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c21-16(17-9-12(17)10-17)18-15-8-14(11-4-2-1-3-5-11)19-20(15)13-6-7-13/h1-5,8,12-13H,6-7,9-10H2,(H,18,21).
What are the key properties of N-(1-cyclopropyl-3-phenylpyrazol-5-yl)bicyclo[1.1.0]butane-1-carboxamide?
N-(1-cyclopropyl-3-phenylpyrazol-5-yl)bicyclo[1.1.0]butane-1-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-3-phenylpyrazol-5-yl)bicyclo[1.1.0]butane-1-carboxamide is sourced from PubChem (CID 167934599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).