2-(2-chlorophenyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide

C14H16ClN3O — CID 110464835

IUPAC2-(2-chlorophenyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)(C)c2ccccc2Cl)n[nH]1
InChIInChI=1S/C14H16ClN3O/c1-9-8-12(18-17-9)16-13(19)14(2,3)10-6-4-5-7-11(10)15/h4-8H,1-3H3,(H2,16,17,18,19)
InChIKeyYZIMLFXGPOUPEA-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.29
Rot. Bonds3

About 2-(2-chlorophenyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide

2-(2-chlorophenyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide (PubChem CID 110464835) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide
PubChem CID110464835
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name2-(2-chlorophenyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)(C)c2ccccc2Cl)n[nH]1
InChIInChI=1S/C14H16ClN3O/c1-9-8-12(18-17-9)16-13(19)14(2,3)10-6-4-5-7-11(10)15/h4-8H,1-3H3,(H2,16,17,18,19)
InChIKeyYZIMLFXGPOUPEA-UHFFFAOYSA-N
XLogP3.29
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 22176775
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(5-methyl-1H-pyrazol-3-yl)carbamic acid
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CID 12073846
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N-(5-methyl-1H-pyrazol-3-yl)-3-oxo-3-phenylpropanamide
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3-chloro-4-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 55031730
2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433751
4-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 103872553
3-chloro-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 80641240
3-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide
CID 64678472
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CID 778152

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 2-(2-chlorophenyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide (CID 110464835) is 2-(2-chlorophenyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 2-(2-chlorophenyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 2-(2-chlorophenyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide is Cc1cc(NC(=O)C(C)(C)c2ccccc2Cl)n[nH]1.
What is the InChIKey of 2-(2-chlorophenyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is YZIMLFXGPOUPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9-8-12(18-17-9)16-13(19)14(2,3)10-6-4-5-7-11(10)15/h4-8H,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-(2-chlorophenyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
2-(2-chlorophenyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 277.76 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 110464835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).