N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxochromene-3-carboxamide

C16H15N3O3 — CID 753177

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxochromene-3-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H15N3O3/c1-18(9-11-8-17-19(2)10-11)15(20)13-7-12-5-3-4-6-14(12)22-16(13)21/h3-8,10H,9H2,1-2H3
InChIKeyOKUDDNPZIYNWHP-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.80
Rot. Bonds3

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxochromene-3-carboxamide

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxochromene-3-carboxamide (PubChem CID 753177) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxochromene-3-carboxamide
PubChem CID753177
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxochromene-3-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H15N3O3/c1-18(9-11-8-17-19(2)10-11)15(20)13-7-12-5-3-4-6-14(12)22-16(13)21/h3-8,10H,9H2,1-2H3
InChIKeyOKUDDNPZIYNWHP-UHFFFAOYSA-N
XLogP1.80
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

8-methoxy-3-(3-methyl-1H-pyrazole-1-carbonyl)-2H-chromen-2-one
CID 974754
6-methoxy-3-[(3-methyl-1H-pyrazol-1-yl)carbonyl]-2H-chromen-2-one
CID 2146209
N-ethyl-1-methyl-N-propyl-3-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide
CID 76323241
3-(benzyloxy)-N-ethyl-1-methyl-N-propyl-1H-pyrazole-4-carboxamide
CID 76330442
US10617680, Example 27
CID 135355534
6-chloro-3-(3-methyl-1H-pyrazole-1-carbonyl)-2H-chromen-2-one
CID 974756
N-(1-pyrazol-1-ylpropan-2-yl)-2H-chromene-3-carboxamide
CID 45818974
N-isobutyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]chromane-3-carboxamide
CID 72854677
N-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]chromane-3-carboxamide
CID 72876271
3-[(4-nitro-1H-pyrazol-1-yl)carbonyl]-2H-chromen-2-one
CID 671849
3-[(4-bromo-1H-pyrazol-1-yl)carbonyl]-2H-chromen-2-one
CID 685669
N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-2-oxo-2H-chromene-3-carboxamide
CID 1225604

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxochromene-3-carboxamide (CID 753177) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxochromene-3-carboxamide is CN(Cc1cnn(C)c1)C(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxochromene-3-carboxamide?
The InChIKey is OKUDDNPZIYNWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-18(9-11-8-17-19(2)10-11)15(20)13-7-12-5-3-4-6-14(12)22-16(13)21/h3-8,10H,9H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxochromene-3-carboxamide?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxochromene-3-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 753177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).