trans-(1R,2R)-N-(2-acetylphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C16H17N3O2 — CID 95049899

IUPACtrans-(1R,2R)-N-(2-acetylphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1
InChIInChI=1S/C16H17N3O2/c1-10(20)12-5-3-4-6-15(12)18-16(21)14-7-13(14)11-8-17-19(2)9-11/h3-6,8-9,13-14H,7H2,1-2H3,(H,18,21)/t13-,14+/m0/s1
InChIKeySSTZVAOLYPQMKL-UONOGXRCSA-N
MW283.33 g/mol
LogP2.36
Rot. Bonds4

About trans-(1R,2R)-N-(2-acetylphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-(2-acetylphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 95049899) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is trans-(1R,2R)-N-(2-acetylphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(2-acetylphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID95049899
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Nametrans-(1R,2R)-N-(2-acetylphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1
InChIInChI=1S/C16H17N3O2/c1-10(20)12-5-3-4-6-15(12)18-16(21)14-7-13(14)11-8-17-19(2)9-11/h3-6,8-9,13-14H,7H2,1-2H3,(H,18,21)/t13-,14+/m0/s1
InChIKeySSTZVAOLYPQMKL-UONOGXRCSA-N
XLogP2.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95234864
methyl 3-[[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]naphthalene-2-carboxylate
CID 95047778
N-(2-cyclopentyloxyphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 71935709
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 120921427
cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95049896
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 120917621
cis-(1S,2R)-2-(1-methylpyrazol-4-yl)-N-(9H-xanthen-9-yl)cyclopropane-1-carboxamide
CID 95307557
trans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-(9H-xanthen-9-yl)cyclopropane-1-carboxamide
CID 95307559
cis-(1R,2S)-2-(1-methylpyrazol-4-yl)-N-(9H-xanthen-9-yl)cyclopropane-1-carboxamide
CID 95307560
N-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]benzamide
CID 110606701
N-(1,5-dimethylpyrazol-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 19399771
cis-(1R,2S)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95348568

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(2-acetylphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(2-acetylphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 95049899) is trans-(1R,2R)-N-(2-acetylphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(2-acetylphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(2-acetylphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is CC(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1.
What is the InChIKey of trans-(1R,2R)-N-(2-acetylphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is SSTZVAOLYPQMKL-UONOGXRCSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10(20)12-5-3-4-6-15(12)18-16(21)14-7-13(14)11-8-17-19(2)9-11/h3-6,8-9,13-14H,7H2,1-2H3,(H,18,21)/t13-,14+/m0/s1.
What are the key properties of trans-(1R,2R)-N-(2-acetylphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-(2-acetylphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(2-acetylphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95049899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).