trans-(1S,2S)-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide

C16H19N3O — CID 95171765

IUPACtrans-(1S,2S)-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCC(C)n1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cn1
InChIInChI=1S/C16H19N3O/c1-11(2)19-10-13(9-17-19)18-16(20)15-8-14(15)12-6-4-3-5-7-12/h3-7,9-11,14-15H,8H2,1-2H3,(H,18,20)/t14-,15+/m1/s1
InChIKeyINZOBUCMESUGHA-CABCVRRESA-N
MW269.35 g/mol
LogP3.21
Rot. Bonds4

About trans-(1S,2S)-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 95171765) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is trans-(1S,2S)-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID95171765
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Nametrans-(1S,2S)-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCC(C)n1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cn1
InChIInChI=1S/C16H19N3O/c1-11(2)19-10-13(9-17-19)18-16(20)15-8-14(15)12-6-4-3-5-7-12/h3-7,9-11,14-15H,8H2,1-2H3,(H,18,20)/t14-,15+/m1/s1
InChIKeyINZOBUCMESUGHA-CABCVRRESA-N
XLogP3.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 62904242
2-amino-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1-carboxamide
CID 64824835
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
trans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 97081561
cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
CID 93010782
(5R)-5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 95171775
N-(1-propan-2-ylpyrazol-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 134709761
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 19408858
cis-(1R,2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 11902701
N-(1,5-dimethylpyrazol-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 19399771
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 19410558
N-(4-acetylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 4205798

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 95171765) is trans-(1S,2S)-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide is CC(C)n1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cn1.
What is the InChIKey of trans-(1S,2S)-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is INZOBUCMESUGHA-CABCVRRESA-N. The full InChI is InChI=1S/C16H19N3O/c1-11(2)19-10-13(9-17-19)18-16(20)15-8-14(15)12-6-4-3-5-7-12/h3-7,9-11,14-15H,8H2,1-2H3,(H,18,20)/t14-,15+/m1/s1.
What are the key properties of trans-(1S,2S)-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95171765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).