N-(2-butan-2-ylphenyl)-4-chloro-1-methylpyrazole-5-carboxamide

C15H18ClN3O — CID 6468411

IUPACN-(2-butan-2-ylphenyl)-4-chloro-1-methylpyrazole-5-carboxamide
SMILESCCC(C)c1ccccc1NC(=O)c1c(Cl)cnn1C
InChIInChI=1S/C15H18ClN3O/c1-4-10(2)11-7-5-6-8-13(11)18-15(20)14-12(16)9-17-19(14)3/h5-10H,4H2,1-3H3,(H,18,20)
InChIKeyVAURUCMPLSSQBL-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.84
Rot. Bonds4

About N-(2-butan-2-ylphenyl)-4-chloro-1-methylpyrazole-5-carboxamide

N-(2-butan-2-ylphenyl)-4-chloro-1-methylpyrazole-5-carboxamide (PubChem CID 6468411) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-4-chloro-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-4-chloro-1-methylpyrazole-5-carboxamide
PubChem CID6468411
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-(2-butan-2-ylphenyl)-4-chloro-1-methylpyrazole-5-carboxamide
SMILESCCC(C)c1ccccc1NC(=O)c1c(Cl)cnn1C
InChIInChI=1S/C15H18ClN3O/c1-4-10(2)11-7-5-6-8-13(11)18-15(20)14-12(16)9-17-19(14)3/h5-10H,4H2,1-3H3,(H,18,20)
InChIKeyVAURUCMPLSSQBL-UHFFFAOYSA-N
XLogP3.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide
CID 19475778
ethyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate
CID 6467478
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-(2-butan-2-ylphenyl)-2-chloro-4,5-difluorobenzamide
CID 4779890
N-[2-[(2R)-butan-2-yl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 2670711
4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 17144538
N-(2-butan-2-ylphenyl)-6-fluoropyridine-2-carboxamide
CID 115497570
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide
CID 55110758
5-fluoro-1-methyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide
CID 141244949
N-[2-[(2R)-butan-2-yl]phenyl]furan-2-carboxamide
CID 959679

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-4-chloro-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-4-chloro-1-methylpyrazole-5-carboxamide (CID 6468411) is N-(2-butan-2-ylphenyl)-4-chloro-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-4-chloro-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-4-chloro-1-methylpyrazole-5-carboxamide is CCC(C)c1ccccc1NC(=O)c1c(Cl)cnn1C.
What is the InChIKey of N-(2-butan-2-ylphenyl)-4-chloro-1-methylpyrazole-5-carboxamide?
The InChIKey is VAURUCMPLSSQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-4-10(2)11-7-5-6-8-13(11)18-15(20)14-12(16)9-17-19(14)3/h5-10H,4H2,1-3H3,(H,18,20).
What are the key properties of N-(2-butan-2-ylphenyl)-4-chloro-1-methylpyrazole-5-carboxamide?
N-(2-butan-2-ylphenyl)-4-chloro-1-methylpyrazole-5-carboxamide has a molecular weight of 291.78 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-4-chloro-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 6468411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).