3-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide

C14H12N4O2 — CID 166191085

IUPAC3-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(-c2ccoc2)n[nH]1
InChIInChI=1S/C14H12N4O2/c19-14(16-8-10-2-1-4-15-7-10)13-6-12(17-18-13)11-3-5-20-9-11/h1-7,9H,8H2,(H,16,19)(H,17,18)
InChIKeyZUNRWCMNBLRDCW-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.99
Rot. Bonds4

About 3-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide

3-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 166191085) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID166191085
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name3-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(-c2ccoc2)n[nH]1
InChIInChI=1S/C14H12N4O2/c19-14(16-8-10-2-1-4-15-7-10)13-6-12(17-18-13)11-3-5-20-9-11/h1-7,9H,8H2,(H,16,19)(H,17,18)
InChIKeyZUNRWCMNBLRDCW-UHFFFAOYSA-N
XLogP1.99
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.99
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-(furan-3-yl)-N-[(1-methylindazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 146153674
3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide
CID 50751822
2-bromo-N-(pyridin-3-ylmethyl)-4H-furo[3,2-b]pyrrole-5-carboxamide
CID 91961363
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165402
3-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42758604
N-(pyridin-3-ylmethyl)-4-pyrrol-1-ylpyridine-2-carboxamide
CID 71801417
N-[(3-carbamoylphenyl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 123475335
5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 110691661
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide (CID 166191085) is 3-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide is O=C(NCc1cccnc1)c1cc(-c2ccoc2)n[nH]1.
What is the InChIKey of 3-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ZUNRWCMNBLRDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c19-14(16-8-10-2-1-4-15-7-10)13-6-12(17-18-13)11-3-5-20-9-11/h1-7,9H,8H2,(H,16,19)(H,17,18).
What are the key properties of 3-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide?
3-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 166191085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).