N-(5-chloro-2-ethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

C16H20ClN3O2 — CID 55982116

IUPACN-(5-chloro-2-ethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCCOc1ccc(Cl)cc1NC(=O)c1cc(CC(C)C)[nH]n1
InChIInChI=1S/C16H20ClN3O2/c1-4-22-15-6-5-11(17)8-13(15)18-16(21)14-9-12(19-20-14)7-10(2)3/h5-6,8-10H,4,7H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyCKJAUGHJHKEGQW-UHFFFAOYSA-N
MW321.81 g/mol
LogP3.91
Rot. Bonds6

About N-(5-chloro-2-ethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

N-(5-chloro-2-ethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 55982116) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-(5-chloro-2-ethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-ethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID55982116
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC NameN-(5-chloro-2-ethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCCOc1ccc(Cl)cc1NC(=O)c1cc(CC(C)C)[nH]n1
InChIInChI=1S/C16H20ClN3O2/c1-4-22-15-6-5-11(17)8-13(15)18-16(21)14-9-12(19-20-14)7-10(2)3/h5-6,8-10H,4,7H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyCKJAUGHJHKEGQW-UHFFFAOYSA-N
XLogP3.91
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55738543
N-(2-ethoxy-4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 87046319
N-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741644
N-(5-chloro-2-pyrazol-1-ylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55993544
2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 4779142
N-(5-chloro-2-ethoxyphenyl)-2-methoxypropanamide
CID 112685938
N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741814
N-[2-(3-chlorophenoxy)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55743110
N'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide
CID 78879143
2-amino-N-(5-chloro-2-ethoxyphenyl)-4-methylpentanamide
CID 54862650
N-(5-chloro-2-ethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47267865
N-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide
CID 79204145

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-ethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-ethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (CID 55982116) is N-(5-chloro-2-ethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-ethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-ethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is CCOc1ccc(Cl)cc1NC(=O)c1cc(CC(C)C)[nH]n1.
What is the InChIKey of N-(5-chloro-2-ethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is CKJAUGHJHKEGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-4-22-15-6-5-11(17)8-13(15)18-16(21)14-9-12(19-20-14)7-10(2)3/h5-6,8-10H,4,7H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-(5-chloro-2-ethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
N-(5-chloro-2-ethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 321.81 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-ethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55982116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).