N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6-methyl-4-oxochromene-2-carboxamide

C19H15N3O4 — CID 39834952

IUPACN-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6-methyl-4-oxochromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3ccnn3Cc3ccco3)cc(=O)c2c1
InChIInChI=1S/C19H15N3O4/c1-12-4-5-16-14(9-12)15(23)10-17(26-16)19(24)21-18-6-7-20-22(18)11-13-3-2-8-25-13/h2-10H,11H2,1H3,(H,21,24)
InChIKeyIGVZZDDUTAGQCF-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.19
Rot. Bonds4

About N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6-methyl-4-oxochromene-2-carboxamide

N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6-methyl-4-oxochromene-2-carboxamide (PubChem CID 39834952) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6-methyl-4-oxochromene-2-carboxamide
PubChem CID39834952
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC NameN-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6-methyl-4-oxochromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3ccnn3Cc3ccco3)cc(=O)c2c1
InChIInChI=1S/C19H15N3O4/c1-12-4-5-16-14(9-12)15(23)10-17(26-16)19(24)21-18-6-7-20-22(18)11-13-3-2-8-25-13/h2-10H,11H2,1H3,(H,21,24)
InChIKeyIGVZZDDUTAGQCF-UHFFFAOYSA-N
XLogP3.19
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 39834947
6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-2-carboxamide
CID 53045619
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 39834834
6-ethyl-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide
CID 35673708
(2S)-2-(3,5-dimethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide
CID 39834759
6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-3-carboxamide
CID 35673443
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9450575
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 8892517
N-benzyl-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide
CID 23605564
N-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide
CID 23605544
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide
CID 35342487
2-(3,4-dimethylphenyl)sulfanyl-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
CID 8892796

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6-methyl-4-oxochromene-2-carboxamide (CID 39834952) is N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6-methyl-4-oxochromene-2-carboxamide is Cc1ccc2oc(C(=O)Nc3ccnn3Cc3ccco3)cc(=O)c2c1.
What is the InChIKey of N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6-methyl-4-oxochromene-2-carboxamide?
The InChIKey is IGVZZDDUTAGQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-12-4-5-16-14(9-12)15(23)10-17(26-16)19(24)21-18-6-7-20-22(18)11-13-3-2-8-25-13/h2-10H,11H2,1H3,(H,21,24).
What are the key properties of N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6-methyl-4-oxochromene-2-carboxamide?
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6-methyl-4-oxochromene-2-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 39834952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).