N-(4,7-dimethyl-2-oxochromen-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

C18H19N3O3 — CID 50965624

IUPACN-(4,7-dimethyl-2-oxochromen-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1cc2oc(=O)cc(C)c2cc1NC(=O)c1cc(C(C)C)[nH]n1
InChIInChI=1S/C18H19N3O3/c1-9(2)13-8-15(21-20-13)18(23)19-14-7-12-10(3)6-17(22)24-16(12)5-11(14)4/h5-9H,1-4H3,(H,19,23)(H,20,21)
InChIKeyUHQBGVBGFJOSRW-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.51
Rot. Bonds3

About N-(4,7-dimethyl-2-oxochromen-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-(4,7-dimethyl-2-oxochromen-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 50965624) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(4,7-dimethyl-2-oxochromen-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4,7-dimethyl-2-oxochromen-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID50965624
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(4,7-dimethyl-2-oxochromen-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1cc2oc(=O)cc(C)c2cc1NC(=O)c1cc(C(C)C)[nH]n1
InChIInChI=1S/C18H19N3O3/c1-9(2)13-8-15(21-20-13)18(23)19-14-7-12-10(3)6-17(22)24-16(12)5-11(14)4/h5-9H,1-4H3,(H,19,23)(H,20,21)
InChIKeyUHQBGVBGFJOSRW-UHFFFAOYSA-N
XLogP3.51
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4,7-dimethyl-2-oxochromen-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 50951029
N-(4,7-dimethyl-2-oxochromen-6-yl)-1H-pyrrole-2-carboxamide
CID 50969470
2-[(4,6-dimethyl-2-oxochromen-7-yl)amino]-2-oxoacetic acid
CID 12906975
N-(4,7-dimethyl-2-oxochromen-6-yl)oxolane-3-carboxamide
CID 50966473
N-(2-amino-5-methoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119420641
5-propan-2-yl-N-quinolin-8-yl-1H-pyrazole-3-carboxamide
CID 110863444
2-(2-aminoethoxy)-N-(4,7-dimethyl-2-oxochromen-6-yl)-5-methylbenzamide;hydrochloride
CID 172897097
5-(difluoromethyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 166323565
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 91639549
1-(4,7-dimethyl-2-oxochromen-6-yl)-3-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]urea
CID 125158157
1-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(4,7-dimethyl-2-oxochromen-6-yl)urea
CID 125172194
3-methylsulfonyl-5-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]benzoic acid
CID 119257679

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethyl-2-oxochromen-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(4,7-dimethyl-2-oxochromen-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 50965624) is N-(4,7-dimethyl-2-oxochromen-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(4,7-dimethyl-2-oxochromen-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(4,7-dimethyl-2-oxochromen-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is Cc1cc2oc(=O)cc(C)c2cc1NC(=O)c1cc(C(C)C)[nH]n1.
What is the InChIKey of N-(4,7-dimethyl-2-oxochromen-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is UHQBGVBGFJOSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-9(2)13-8-15(21-20-13)18(23)19-14-7-12-10(3)6-17(22)24-16(12)5-11(14)4/h5-9H,1-4H3,(H,19,23)(H,20,21).
What are the key properties of N-(4,7-dimethyl-2-oxochromen-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-(4,7-dimethyl-2-oxochromen-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethyl-2-oxochromen-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 50965624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).