2-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]furan-3-carboxamide

C16H15N3O2 — CID 1244259

IUPAC2-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C16H15N3O2/c1-12-15(6-9-21-12)16(20)18-14-5-2-4-13(10-14)11-19-8-3-7-17-19/h2-10H,11H2,1H3,(H,18,20)
InChIKeyAMDSSCQQWZGZOT-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.09
Rot. Bonds4

About 2-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]furan-3-carboxamide

2-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]furan-3-carboxamide (PubChem CID 1244259) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]furan-3-carboxamide
PubChem CID1244259
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C16H15N3O2/c1-12-15(6-9-21-12)16(20)18-14-5-2-4-13(10-14)11-19-8-3-7-17-19/h2-10H,11H2,1H3,(H,18,20)
InChIKeyAMDSSCQQWZGZOT-UHFFFAOYSA-N
XLogP3.09
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide
CID 17248960
N-(4-{N-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-methyl-3-furamide
CID 5433092
N-(4-{N-[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-methyl-3-furamide
CID 5454921
Furan-3-carbohydrazide, 2-methyl-N2-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylene-
CID 9593094
N-(3-{N-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-methyl-3-furamide
CID 9617778
N-{4-[N-(2-methyl-3-furoyl)ethanehydrazonoyl]phenyl}isonicotinamide
CID 6156074
N-{4-[N-(2-methyl-3-furoyl)ethanehydrazonoyl]phenyl}nicotinamide
CID 6269729
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-methyl-3-furamide
CID 24790593
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2,5-dimethyl-3-furamide
CID 24791757
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-furamide
CID 24793888
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2,5-dimethyl-3-furamide
CID 24793912
N-(6,6-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)-3-furamide
CID 24816962

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]furan-3-carboxamide (CID 1244259) is 2-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]furan-3-carboxamide is Cc1occc1C(=O)Nc1cccc(Cn2cccn2)c1.
What is the InChIKey of 2-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]furan-3-carboxamide?
The InChIKey is AMDSSCQQWZGZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-12-15(6-9-21-12)16(20)18-14-5-2-4-13(10-14)11-19-8-3-7-17-19/h2-10H,11H2,1H3,(H,18,20).
What are the key properties of 2-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]furan-3-carboxamide?
2-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]furan-3-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 1244259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).