N-(1-chloro-3-phenylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide

C15H18ClN3O — CID 114300362

IUPACN-(1-chloro-3-phenylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(CCl)Cc2ccccc2)n(C)n1
InChIInChI=1S/C15H18ClN3O/c1-11-8-14(19(2)18-11)15(20)17-13(10-16)9-12-6-4-3-5-7-12/h3-8,13H,9-10H2,1-2H3,(H,17,20)
InChIKeyUQGJOJIKOAIBLH-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.31
Rot. Bonds5

About N-(1-chloro-3-phenylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide

N-(1-chloro-3-phenylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 114300362) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-(1-chloro-3-phenylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-3-phenylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide
PubChem CID114300362
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-(1-chloro-3-phenylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(CCl)Cc2ccccc2)n(C)n1
InChIInChI=1S/C15H18ClN3O/c1-11-8-14(19(2)18-11)15(20)17-13(10-16)9-12-6-4-3-5-7-12/h3-8,13H,9-10H2,1-2H3,(H,17,20)
InChIKeyUQGJOJIKOAIBLH-UHFFFAOYSA-N
XLogP2.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 107861204
N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide
CID 87023695
5-chloro-N-[2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-3-phenylpropyl]-1,3-dimethylpyrazole-4-carboxamide
CID 47080414
2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide
CID 78905447
(3R)-3-(2-chlorophenyl)-3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoic acid
CID 97215063
5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 122420570
N-[3-(chloromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 114293272
N-(1-chloro-3-phenylpropan-2-yl)-2-(3-methylphenyl)acetamide
CID 114300302
N-(1-chloro-3-phenylpropan-2-yl)-3-hydroxybenzamide
CID 114300288
3-bromo-N-(1-chloro-3-phenylpropan-2-yl)benzamide
CID 114300382
N-(1-chloro-3-phenylpropan-2-yl)-3,4-difluorobenzamide
CID 74554933
N-(1-chloro-3-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 113272358

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide (CID 114300362) is N-(1-chloro-3-phenylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1-chloro-3-phenylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(1-chloro-3-phenylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NC(CCl)Cc2ccccc2)n(C)n1.
What is the InChIKey of N-(1-chloro-3-phenylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is UQGJOJIKOAIBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-11-8-14(19(2)18-11)15(20)17-13(10-16)9-12-6-4-3-5-7-12/h3-8,13H,9-10H2,1-2H3,(H,17,20).
What are the key properties of N-(1-chloro-3-phenylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide?
N-(1-chloro-3-phenylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 291.78 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-phenylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 114300362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).