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

C20H23ClN6O2 — CID 19537993

IUPACN-[3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cccc(NC(=O)C(C)n2nc(C)c(Cl)c2C)c1
InChIInChI=1S/C20H23ClN6O2/c1-5-26-17(9-10-22-26)20(29)24-16-8-6-7-15(11-16)23-19(28)14(4)27-13(3)18(21)12(2)25-27/h6-11,14H,5H2,1-4H3,(H,23,28)(H,24,29)
InChIKeyQDUKQRGEQDVIDW-UHFFFAOYSA-N
MW414.90 g/mol
LogP3.82
Rot. Bonds6

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

N-[3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide (PubChem CID 19537993) has the molecular formula C20H23ClN6O2 and a molecular weight of 414.90 g/mol. Its IUPAC name is N-[3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide
PubChem CID19537993
Molecular FormulaC20H23ClN6O2
Molecular Weight414.90 g/mol
Exact Mass414.16
IUPAC NameN-[3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cccc(NC(=O)C(C)n2nc(C)c(Cl)c2C)c1
InChIInChI=1S/C20H23ClN6O2/c1-5-26-17(9-10-22-26)20(29)24-16-8-6-7-15(11-16)23-19(28)14(4)27-13(3)18(21)12(2)25-27/h6-11,14H,5H2,1-4H3,(H,23,28)(H,24,29)
InChIKeyQDUKQRGEQDVIDW-UHFFFAOYSA-N
XLogP3.82
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.90
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19533810
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19262615
N-[3-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19554288
3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491840
N-[3-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19529749
N-[3-[3-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19541604
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480818
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264689
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]propanamide
CID 19296892
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276035
1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19264997
2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide
CID 19578896

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide (CID 19537993) is N-[3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1cccc(NC(=O)C(C)n2nc(C)c(Cl)c2C)c1.
What is the InChIKey of N-[3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide?
The InChIKey is QDUKQRGEQDVIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O2/c1-5-26-17(9-10-22-26)20(29)24-16-8-6-7-15(11-16)23-19(28)14(4)27-13(3)18(21)12(2)25-27/h6-11,14H,5H2,1-4H3,(H,23,28)(H,24,29).
What are the key properties of N-[3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide?
N-[3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 414.90 g/mol, XLogP of 3.82, 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-3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19537993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).