5-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide

C17H13N5O — CID 166322106

IUPAC5-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESN#Cc1cccc(-c2[nH]ncc2C(=O)NCc2cccnc2)c1
InChIInChI=1S/C17H13N5O/c18-8-12-3-1-5-14(7-12)16-15(11-21-22-16)17(23)20-10-13-4-2-6-19-9-13/h1-7,9,11H,10H2,(H,20,23)(H,21,22)
InChIKeyVOJLWUIHAGFHOB-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.27
Rot. Bonds4

About 5-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide

5-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 166322106) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 5-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID166322106
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name5-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESN#Cc1cccc(-c2[nH]ncc2C(=O)NCc2cccnc2)c1
InChIInChI=1S/C17H13N5O/c18-8-12-3-1-5-14(7-12)16-15(11-21-22-16)17(23)20-10-13-4-2-6-19-9-13/h1-7,9,11H,10H2,(H,20,23)(H,21,22)
InChIKeyVOJLWUIHAGFHOB-UHFFFAOYSA-N
XLogP2.27
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide
CID 53490368
3-amino-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide
CID 105069773
5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824377
N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 47801296
N-[(3-cyanophenyl)methyl]-4-hydrazinylpyridine-3-carboxamide
CID 81256233
5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824675
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
3-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28670946
3-(3-cyanoanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023612
N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824643
N-benzyl-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824647
5-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824470

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide (CID 166322106) is 5-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide is N#Cc1cccc(-c2[nH]ncc2C(=O)NCc2cccnc2)c1.
What is the InChIKey of 5-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is VOJLWUIHAGFHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c18-8-12-3-1-5-14(7-12)16-15(11-21-22-16)17(23)20-10-13-4-2-6-19-9-13/h1-7,9,11H,10H2,(H,20,23)(H,21,22).
What are the key properties of 5-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide?
5-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 303.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 166322106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).