N-(cyanomethyl)-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide

C18H15N5O — CID 166405265

IUPACN-(cyanomethyl)-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESN#CCN(Cc1ccccn1)C(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H15N5O/c19-9-11-23(13-15-8-4-5-10-20-15)18(24)17-12-16(21-22-17)14-6-2-1-3-7-14/h1-8,10,12H,11,13H2,(H,21,22)
InChIKeyTUDVKXHGKJTPDP-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.64
Rot. Bonds5

About N-(cyanomethyl)-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide

N-(cyanomethyl)-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 166405265) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(cyanomethyl)-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID166405265
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC NameN-(cyanomethyl)-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESN#CCN(Cc1ccccn1)C(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H15N5O/c19-9-11-23(13-15-8-4-5-10-20-15)18(24)17-12-16(21-22-17)14-6-2-1-3-7-14/h1-8,10,12H,11,13H2,(H,21,22)
InChIKeyTUDVKXHGKJTPDP-UHFFFAOYSA-N
XLogP2.64
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870925
N-benzyl-N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 110886500
3-[cyanomethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82328509
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 79377189
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 166183764
(3-phenyl-1H-pyrazol-5-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 71702362
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 63928491
N-methyl-3-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 50984748
N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 51046454
N-cyclopropyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 50976083
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 39459167
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(cyanomethyl)-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide (CID 166405265) is N-(cyanomethyl)-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(cyanomethyl)-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide is N#CCN(Cc1ccccn1)C(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-(cyanomethyl)-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is TUDVKXHGKJTPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c19-9-11-23(13-15-8-4-5-10-20-15)18(24)17-12-16(21-22-17)14-6-2-1-3-7-14/h1-8,10,12H,11,13H2,(H,21,22).
What are the key properties of N-(cyanomethyl)-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
N-(cyanomethyl)-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 166405265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).