5-chloro-N-[4-(diethylamino)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide

C19H27ClN4O — CID 27229200

IUPAC5-chloro-N-[4-(diethylamino)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2c(C)nn(CC(C)C)c2Cl)cc1
InChIInChI=1S/C19H27ClN4O/c1-6-23(7-2)16-10-8-15(9-11-16)21-19(25)17-14(5)22-24(18(17)20)12-13(3)4/h8-11,13H,6-7,12H2,1-5H3,(H,21,25)
InChIKeyQHHRNGAOMPJOAI-UHFFFAOYSA-N
MW362.91 g/mol
LogP4.60
Rot. Bonds7

About 5-chloro-N-[4-(diethylamino)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide

5-chloro-N-[4-(diethylamino)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 27229200) has the molecular formula C19H27ClN4O and a molecular weight of 362.91 g/mol. Its IUPAC name is 5-chloro-N-[4-(diethylamino)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(diethylamino)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID27229200
Molecular FormulaC19H27ClN4O
Molecular Weight362.91 g/mol
Exact Mass362.19
IUPAC Name5-chloro-N-[4-(diethylamino)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2c(C)nn(CC(C)C)c2Cl)cc1
InChIInChI=1S/C19H27ClN4O/c1-6-23(7-2)16-10-8-15(9-11-16)21-19(25)17-14(5)22-24(18(17)20)12-13(3)4/h8-11,13H,6-7,12H2,1-5H3,(H,21,25)
InChIKeyQHHRNGAOMPJOAI-UHFFFAOYSA-N
XLogP4.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 26087171
propyl 4-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]benzoate
CID 29211303
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate
CID 7904217
1-benzyl-5-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 7957023
[2-(4-acetamidophenyl)-2-oxoethyl] 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate
CID 7904346
1-benzyl-5-chloro-3-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide
CID 9225352
1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8893300
5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 18292119
N-[4-(diethylamino)phenyl]-2,4,6-trimethylbenzamide
CID 19167686
methyl (E)-4-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]but-2-enoate
CID 146099643
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(diethylamino)phenyl]-2-methylpropanamide
CID 19564213
1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 2489518

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(diethylamino)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[4-(diethylamino)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 27229200) is 5-chloro-N-[4-(diethylamino)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(diethylamino)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(diethylamino)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2c(C)nn(CC(C)C)c2Cl)cc1.
What is the InChIKey of 5-chloro-N-[4-(diethylamino)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is QHHRNGAOMPJOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O/c1-6-23(7-2)16-10-8-15(9-11-16)21-19(25)17-14(5)22-24(18(17)20)12-13(3)4/h8-11,13H,6-7,12H2,1-5H3,(H,21,25).
What are the key properties of 5-chloro-N-[4-(diethylamino)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
5-chloro-N-[4-(diethylamino)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 362.91 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(diethylamino)phenyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 27229200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).