3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide

C21H17N5O — CID 121165402

IUPAC3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccnc(-c2ccncc2)c1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C21H17N5O/c27-21(20-13-19(25-26-20)16-4-2-1-3-5-16)24-14-15-6-11-23-18(12-15)17-7-9-22-10-8-17/h1-13H,14H2,(H,24,27)(H,25,26)
InChIKeyIFVPYHTVVMEIGH-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.46
Rot. Bonds5

About 3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide

3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 121165402) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID121165402
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccnc(-c2ccncc2)c1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C21H17N5O/c27-21(20-13-19(25-26-20)16-4-2-1-3-5-16)24-14-15-6-11-23-18(12-15)17-7-9-22-10-8-17/h1-13H,14H2,(H,24,27)(H,25,26)
InChIKeyIFVPYHTVVMEIGH-UHFFFAOYSA-N
XLogP3.46
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087401
3-(2-methoxyphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165473
N-[(3-carbamoylphenyl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 123475335
2-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 121165498
N-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 118716752
methyl 2-[(2-pyridin-4-yl-4-pyridinyl)methylcarbamoyl]benzoate
CID 121165433
N-benzyl-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352032
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]quinoline-2-carboxamide
CID 121165463
3-phenyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 57383723
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]furan-3-carboxamide
CID 121018130
1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea
CID 121165553
N-[(3-fluoro-2-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 166179922

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide (CID 121165402) is 3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide is O=C(NCc1ccnc(-c2ccncc2)c1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is IFVPYHTVVMEIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c27-21(20-13-19(25-26-20)16-4-2-1-3-5-16)24-14-15-6-11-23-18(12-15)17-7-9-22-10-8-17/h1-13H,14H2,(H,24,27)(H,25,26).
What are the key properties of 3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide?
3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 121165402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).