N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide

C16H13N5O — CID 95237324

IUPACN-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESN#C[C@H](NC(=O)c1ccc[nH]1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H13N5O/c17-9-15(20-16(22)14-7-4-8-18-14)12-10-19-21(11-12)13-5-2-1-3-6-13/h1-8,10-11,15,18H,(H,20,22)/t15-/m0/s1
InChIKeyKHBHBKCVYZIWQZ-HNNXBMFYSA-N
MW291.31 g/mol
LogP2.20
Rot. Bonds4

About N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide

N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 95237324) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID95237324
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC NameN-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESN#C[C@H](NC(=O)c1ccc[nH]1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H13N5O/c17-9-15(20-16(22)14-7-4-8-18-14)12-10-19-21(11-12)13-5-2-1-3-6-13/h1-8,10-11,15,18H,(H,20,22)/t15-/m0/s1
InChIKeyKHBHBKCVYZIWQZ-HNNXBMFYSA-N
XLogP2.20
TPSA86.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[cyano-(1-phenylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 167972145
N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-(dimethylamino)acetamide
CID 99857495
N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 97247015
N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
CID 110470884
N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide
CID 95159954
N-[cyano-(1-phenylpyrazol-4-yl)methyl]-3-cyclobutylpropanamide
CID 75376755
cis-(1S,2R)-N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-nitrocyclopropane-1-carboxamide
CID 124736796
N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-1H-imidazole-5-carboxamide
CID 99974325
N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 71917956
N-[(S)-cyano-(2,4-difluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 95618021
N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 97069293
2-(1-phenylpyrazol-4-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 61005442

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide (CID 95237324) is N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide is N#C[C@H](NC(=O)c1ccc[nH]1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is KHBHBKCVYZIWQZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H13N5O/c17-9-15(20-16(22)14-7-4-8-18-14)12-10-19-21(11-12)13-5-2-1-3-6-13/h1-8,10-11,15,18H,(H,20,22)/t15-/m0/s1.
What are the key properties of N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide?
N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 95237324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).