trans-(1S,2S)-N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide

C24H25N3O2 — CID 97315585

IUPACtrans-(1S,2S)-N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1c(C)c(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C24H25N3O2/c1-15-22(16-12-13-16)26-27(17-8-4-3-5-9-17)23(15)25-24(28)20-14-19(20)18-10-6-7-11-21(18)29-2/h3-11,16,19-20H,12-14H2,1-2H3,(H,25,28)/t19-,20+/m1/s1
InChIKeyVRBFCFUIINLEKY-UXHICEINSA-N
MW387.48 g/mol
LogP4.81
Rot. Bonds6

About trans-(1S,2S)-N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 97315585) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is trans-(1S,2S)-N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID97315585
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Nametrans-(1S,2S)-N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1c(C)c(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C24H25N3O2/c1-15-22(16-12-13-16)26-27(17-8-4-3-5-9-17)23(15)25-24(28)20-14-19(20)18-10-6-7-11-21(18)29-2/h3-11,16,19-20H,12-14H2,1-2H3,(H,25,28)/t19-,20+/m1/s1
InChIKeyVRBFCFUIINLEKY-UXHICEINSA-N
XLogP4.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-fluoro-4,5-dimethoxybenzamide
CID 75468818
N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(4-methoxyphenyl)-2-oxoacetamide
CID 75467763
trans-(1S,2S)-2-(2-methoxyphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]cyclopropane-1-carboxamide
CID 95283593
N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-3-(methoxymethyl)benzamide
CID 75467449
N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 56786256
trans-(1S,2S)-2-(2-methoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide
CID 95287527
cis-(1R,2S)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 95383107
cis-(1S,2R)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 95383104
trans-(1R,2R)-2-(2-methoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopropane-1-carboxamide
CID 166236836
trans-(1S,2S)-N-[(3-imidazol-1-ylphenyl)methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 95769974
methyl 1-[[(1S,2S)-2-(2-methoxyphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylate
CID 95278927
trans-(1R,2R)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 95629376

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide (CID 97315585) is trans-(1S,2S)-N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1c(C)c(C2CC2)nn1-c1ccccc1.
What is the InChIKey of trans-(1S,2S)-N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is VRBFCFUIINLEKY-UXHICEINSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-15-22(16-12-13-16)26-27(17-8-4-3-5-9-17)23(15)25-24(28)20-14-19(20)18-10-6-7-11-21(18)29-2/h3-11,16,19-20H,12-14H2,1-2H3,(H,25,28)/t19-,20+/m1/s1.
What are the key properties of trans-(1S,2S)-N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97315585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).