N-[3-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide

C19H21ClN6O2 — CID 19533810

IUPACN-[3-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cccc(NC(=O)C(C)n2ncc(Cl)c2C)c1
InChIInChI=1S/C19H21ClN6O2/c1-4-25-17(8-9-21-25)19(28)24-15-7-5-6-14(10-15)23-18(27)13(3)26-12(2)16(20)11-22-26/h5-11,13H,4H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyRWYBICAEZXMWSD-UHFFFAOYSA-N
MW400.87 g/mol
LogP3.51
Rot. Bonds6

About N-[3-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide

N-[3-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide (PubChem CID 19533810) has the molecular formula C19H21ClN6O2 and a molecular weight of 400.87 g/mol. Its IUPAC name is N-[3-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide
PubChem CID19533810
Molecular FormulaC19H21ClN6O2
Molecular Weight400.87 g/mol
Exact Mass400.14
IUPAC NameN-[3-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cccc(NC(=O)C(C)n2ncc(Cl)c2C)c1
InChIInChI=1S/C19H21ClN6O2/c1-4-25-17(8-9-21-25)19(28)24-15-7-5-6-14(10-15)23-18(27)13(3)26-12(2)16(20)11-22-26/h5-11,13H,4H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyRWYBICAEZXMWSD-UHFFFAOYSA-N
XLogP3.51
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-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-[3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19537993
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19262615
3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491840
N-[3-[3-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19541604
N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)propanamide
CID 19533587
N-[3-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19554288
2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide
CID 19578896
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264689
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440776
N-[3-[[5-[(4-chlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19415389
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19533594
2-ethyl-N-[3-[(4-nitrobenzoyl)amino]phenyl]pyrazole-3-carboxamide
CID 4865698

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide (CID 19533810) is N-[3-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1cccc(NC(=O)C(C)n2ncc(Cl)c2C)c1.
What is the InChIKey of N-[3-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide?
The InChIKey is RWYBICAEZXMWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O2/c1-4-25-17(8-9-21-25)19(28)24-15-7-5-6-14(10-15)23-18(27)13(3)26-12(2)16(20)11-22-26/h5-11,13H,4H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of N-[3-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide?
N-[3-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 400.87 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19533810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).