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

C15H18ClN3O — CID 55738543

IUPACN-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc(CC(C)C)[nH]n1
InChIInChI=1S/C15H18ClN3O/c1-9(2)6-12-8-14(19-18-12)15(20)17-13-7-11(16)5-4-10(13)3/h4-5,7-9H,6H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyDSTOOQTUHNJXNU-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.82
Rot. Bonds4

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

N-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 55738543) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID55738543
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc(CC(C)C)[nH]n1
InChIInChI=1S/C15H18ClN3O/c1-9(2)6-12-8-14(19-18-12)15(20)17-13-7-11(16)5-4-10(13)3/h4-5,7-9H,6H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyDSTOOQTUHNJXNU-UHFFFAOYSA-N
XLogP3.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-ethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55982116
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
N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741814
N'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide
CID 78879143
N-(5-chloro-2-methylphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859079
N-[2-(3-chlorophenoxy)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55743110
N-(3-bromophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741020
N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55738892
5-(2-methylpropyl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-pyrazole-3-carboxamide
CID 134695637
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55746193
N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide
CID 675121

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (CID 55738543) is N-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1cc(CC(C)C)[nH]n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is DSTOOQTUHNJXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-9(2)6-12-8-14(19-18-12)15(20)17-13-7-11(16)5-4-10(13)3/h4-5,7-9H,6H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
N-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 291.78 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55738543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).