N-[(3-carbamoylphenyl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

C17H15N5O2 — CID 123475335

IUPACN-[(3-carbamoylphenyl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2cc(-c3ccncc3)n[nH]2)c1
InChIInChI=1S/C17H15N5O2/c18-16(23)13-3-1-2-11(8-13)10-20-17(24)15-9-14(21-22-15)12-4-6-19-7-5-12/h1-9H,10H2,(H2,18,23)(H,20,24)(H,21,22)
InChIKeyZRDKUKCNPQPCSB-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.50
Rot. Bonds5

About N-[(3-carbamoylphenyl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

N-[(3-carbamoylphenyl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 123475335) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID123475335
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC NameN-[(3-carbamoylphenyl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2cc(-c3ccncc3)n[nH]2)c1
InChIInChI=1S/C17H15N5O2/c18-16(23)13-3-1-2-11(8-13)10-20-17(24)15-9-14(21-22-15)12-4-6-19-7-5-12/h1-9H,10H2,(H2,18,23)(H,20,24)(H,21,22)
InChIKeyZRDKUKCNPQPCSB-UHFFFAOYSA-N
XLogP1.50
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087401
3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165402
N-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 32636581
N-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 123882296
N-[(3-carbamoylphenyl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 32636396
3-(2-methoxyphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165473
3-[(carbamoylamino)methyl]benzamide
CID 166184789
N-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 118716752
N-[(4-carbamimidoylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 73052491
N-benzyl-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352032
N-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63049431
N-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46857012

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 123475335) is N-[(3-carbamoylphenyl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is NC(=O)c1cccc(CNC(=O)c2cc(-c3ccncc3)n[nH]2)c1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is ZRDKUKCNPQPCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c18-16(23)13-3-1-2-11(8-13)10-20-17(24)15-9-14(21-22-15)12-4-6-19-7-5-12/h1-9H,10H2,(H2,18,23)(H,20,24)(H,21,22).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
N-[(3-carbamoylphenyl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 123475335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).