N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide

C20H17N3O4 — CID 39834947

IUPACN-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide
SMILESCc1cc2oc(C(=O)Nc3ccnn3Cc3ccco3)cc(=O)c2cc1C
InChIInChI=1S/C20H17N3O4/c1-12-8-15-16(24)10-18(27-17(15)9-13(12)2)20(25)22-19-5-6-21-23(19)11-14-4-3-7-26-14/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyBFUXFIWWBIUBHB-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.50
Rot. Bonds4

About N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide

N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide (PubChem CID 39834947) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide
PubChem CID39834947
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide
SMILESCc1cc2oc(C(=O)Nc3ccnn3Cc3ccco3)cc(=O)c2cc1C
InChIInChI=1S/C20H17N3O4/c1-12-8-15-16(24)10-18(27-17(15)9-13(12)2)20(25)22-19-5-6-21-23(19)11-14-4-3-7-26-14/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyBFUXFIWWBIUBHB-UHFFFAOYSA-N
XLogP3.50
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6-methyl-4-oxochromene-2-carboxamide
CID 39834952
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 39834834
6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-2-carboxamide
CID 53045619
2-(3,4-dimethylphenyl)sulfanyl-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
CID 8892796
6-ethyl-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide
CID 35673708
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
7-bromo-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide
CID 39834838
(2S)-2-(3,5-dimethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide
CID 39834759
6,7-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)chromene-2-carboxamide
CID 4974370
(2S)-2-(4-ethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide
CID 39834957
N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 43843785

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide (CID 39834947) is N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide is Cc1cc2oc(C(=O)Nc3ccnn3Cc3ccco3)cc(=O)c2cc1C.
What is the InChIKey of N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide?
The InChIKey is BFUXFIWWBIUBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-12-8-15-16(24)10-18(27-17(15)9-13(12)2)20(25)22-19-5-6-21-23(19)11-14-4-3-7-26-14/h3-10H,11H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide?
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 3.50, 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]-6,7-dimethyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 39834947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).