N-(2-imidazol-1-ylethyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

C14H14N6O — CID 127254613

IUPACN-(2-imidazol-1-ylethyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NCCn1ccnc1)c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C14H14N6O/c21-14(17-6-8-20-7-5-15-10-20)13-9-12(18-19-13)11-3-1-2-4-16-11/h1-5,7,9-10H,6,8H2,(H,17,21)(H,18,19)
InChIKeyPGTPSSLDKRKSPR-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.10
Rot. Bonds5

About N-(2-imidazol-1-ylethyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

N-(2-imidazol-1-ylethyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 127254613) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
PubChem CID127254613
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC NameN-(2-imidazol-1-ylethyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NCCn1ccnc1)c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C14H14N6O/c21-14(17-6-8-20-7-5-15-10-20)13-9-12(18-19-13)11-3-1-2-4-16-11/h1-5,7,9-10H,6,8H2,(H,17,21)(H,18,19)
InChIKeyPGTPSSLDKRKSPR-UHFFFAOYSA-N
XLogP1.10
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352032
3-pyridin-2-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1H-pyrazole-5-carboxamide
CID 74249644
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 71793314
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 110204460
N-(4-imidazol-1-ylbutyl)-1H-pyrrole-2-carboxamide
CID 110445327
N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide
CID 110473171
N-(3-cyclohexyloxypropyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 74233551
N-[3-(1H-benzimidazol-2-yl)propyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 71827608
N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide
CID 110468194
2-[2-(2-imidazol-1-ylethylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79324658
4-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588267

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (CID 127254613) is N-(2-imidazol-1-ylethyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is O=C(NCCn1ccnc1)c1cc(-c2ccccn2)n[nH]1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is PGTPSSLDKRKSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c21-14(17-6-8-20-7-5-15-10-20)13-9-12(18-19-13)11-3-1-2-4-16-11/h1-5,7,9-10H,6,8H2,(H,17,21)(H,18,19).
What are the key properties of N-(2-imidazol-1-ylethyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
N-(2-imidazol-1-ylethyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 127254613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).