N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide

C19H24ClN3O2 — CID 119042913

IUPACN-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCOc3c(Cl)cccc32)cnn1CC(C)C
InChIInChI=1S/C19H24ClN3O2/c1-4-17-14(10-21-23(17)11-12(2)3)19(24)22-16-8-9-25-18-13(16)6-5-7-15(18)20/h5-7,10,12,16H,4,8-9,11H2,1-3H3,(H,22,24)
InChIKeyOEWOYRRCGNRBIS-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.01
Rot. Bonds5

About N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide

N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 119042913) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID119042913
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC NameN-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCOc3c(Cl)cccc32)cnn1CC(C)C
InChIInChI=1S/C19H24ClN3O2/c1-4-17-14(10-21-23(17)11-12(2)3)19(24)22-16-8-9-25-18-13(16)6-5-7-15(18)20/h5-7,10,12,16H,4,8-9,11H2,1-3H3,(H,22,24)
InChIKeyOEWOYRRCGNRBIS-UHFFFAOYSA-N
XLogP4.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 124614344
N-[(3S)-7-chloro-2,3-dihydro-1-benzofuran-3-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 124736406
N-[(3S)-7-chloro-2,3-dihydro-1-benzofuran-3-yl]-5-(difluoromethyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 124730162
5-(difluoromethyl)-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 119042946
5-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 124614790
1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-ethylpyrazole-4-carboxamide
CID 78872570
5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 119043473
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-hydroxybenzamide
CID 60572033
cis-(1S,3R)-3-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675965
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methyl-3-(methylamino)propanamide
CID 119746250
2-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylpentanamide
CID 119746258
N-[(3R)-4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 124861480

Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 119042913) is N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide is CCc1c(C(=O)NC2CCOc3c(Cl)cccc32)cnn1CC(C)C.
What is the InChIKey of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is OEWOYRRCGNRBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-4-17-14(10-21-23(17)11-12(2)3)19(24)22-16-8-9-25-18-13(16)6-5-7-15(18)20/h5-7,10,12,16H,4,8-9,11H2,1-3H3,(H,22,24).
What are the key properties of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 361.87 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 119042913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).