5-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide

C14H14Cl3N3O — CID 129032601

IUPAC5-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NC(C)Cc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl3N3O/c1-7(19-14(21)11-6-18-20-8(11)2)3-10-12(16)4-9(15)5-13(10)17/h4-7H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOIHHSVMNMZYSPM-UHFFFAOYSA-N
MW346.65 g/mol
LogP4.04
Rot. Bonds4

About 5-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide

5-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 129032601) has the molecular formula C14H14Cl3N3O and a molecular weight of 346.65 g/mol. Its IUPAC name is 5-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID129032601
Molecular FormulaC14H14Cl3N3O
Molecular Weight346.65 g/mol
Exact Mass345.02
IUPAC Name5-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NC(C)Cc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl3N3O/c1-7(19-14(21)11-6-18-20-8(11)2)3-10-12(16)4-9(15)5-13(10)17/h4-7H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOIHHSVMNMZYSPM-UHFFFAOYSA-N
XLogP4.04
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.65
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-bromopropan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114310722
N-(4-amino-4-oxobutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 115664810
5-methyl-N-pentan-3-yl-1H-pyrazole-4-carboxamide
CID 63996997
N-(1-chloro-4-methylpentan-3-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 106354631
N-(1-chloro-4-methylpentan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114301001
N-(1-amino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 65191454
2,4-dichloro-6-hydroxy-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 97234757
2,4-dichloro-6-hydroxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 97234758
(2R)-2-(2-chlorophenyl)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid
CID 107314362
N-[(2R)-1-(2,4,6-trichlorophenyl)propan-2-yl]hydroxylamine
CID 164724189
N-(2,5-dichloro-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 104727965
N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 62734214

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide (CID 129032601) is 5-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NC(C)Cc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 5-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is OIHHSVMNMZYSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl3N3O/c1-7(19-14(21)11-6-18-20-8(11)2)3-10-12(16)4-9(15)5-13(10)17/h4-7H,3H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 5-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide?
5-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 346.65 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 129032601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).