2-chloro-N-(2-methylphenyl)-N-(pyrazol-1-ylmethyl)propanamide

C14H16ClN3O — CID 19805763

IUPAC2-chloro-N-(2-methylphenyl)-N-(pyrazol-1-ylmethyl)propanamide
SMILESCc1ccccc1N(Cn1cccn1)C(=O)C(C)Cl
InChIInChI=1S/C14H16ClN3O/c1-11-6-3-4-7-13(11)18(14(19)12(2)15)10-17-9-5-8-16-17/h3-9,12H,10H2,1-2H3
InChIKeyLOWDZFMEYBVATN-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.81
Rot. Bonds4

About 2-chloro-N-(2-methylphenyl)-N-(pyrazol-1-ylmethyl)propanamide

2-chloro-N-(2-methylphenyl)-N-(pyrazol-1-ylmethyl)propanamide (PubChem CID 19805763) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 2-chloro-N-(2-methylphenyl)-N-(pyrazol-1-ylmethyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylphenyl)-N-(pyrazol-1-ylmethyl)propanamide
PubChem CID19805763
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name2-chloro-N-(2-methylphenyl)-N-(pyrazol-1-ylmethyl)propanamide
SMILESCc1ccccc1N(Cn1cccn1)C(=O)C(C)Cl
InChIInChI=1S/C14H16ClN3O/c1-11-6-3-4-7-13(11)18(14(19)12(2)15)10-17-9-5-8-16-17/h3-9,12H,10H2,1-2H3
InChIKeyLOWDZFMEYBVATN-UHFFFAOYSA-N
XLogP2.81
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide
CID 70449024
2-chloro-N-(2-ethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide
CID 19604920
2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide
CID 3338024
2-chloro-N-(2-methylphenyl)-N-[(5-propyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 70567845
2-[2,6-dimethyl-N-(pyrazol-1-ylmethyl)anilino]-2-oxoacetic acid
CID 86290103
2-chloro-N-(2-methylphenyl)-N-(1,3,4-thiadiazol-2-ylmethyl)propanamide
CID 70569088
3-(N-ethyl-2-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896860
2-chloro-N-(2-methylphenyl)-N-[[5-(trichloromethyl)-1,3,4-thiadiazol-2-yl]methyl]propanamide
CID 70568326
N-(2-ethyl-6-methylphenyl)-N-(pyrazol-1-ylmethyl)acetamide
CID 70498647
N-(2,6-dimethylphenyl)-2-[(S)-methylsulfinyl]-N-(pyrazol-1-ylmethyl)acetamide
CID 95705929
(2R)-2-chloro-N-ethyl-N-naphthalen-1-ylpropanamide
CID 2529538
N-ethyl-2,2-difluoro-N-(2-methylphenyl)acetamide
CID 103515266

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylphenyl)-N-(pyrazol-1-ylmethyl)propanamide?
The IUPAC name of 2-chloro-N-(2-methylphenyl)-N-(pyrazol-1-ylmethyl)propanamide (CID 19805763) is 2-chloro-N-(2-methylphenyl)-N-(pyrazol-1-ylmethyl)propanamide.
What is the SMILES notation for 2-chloro-N-(2-methylphenyl)-N-(pyrazol-1-ylmethyl)propanamide?
The canonical SMILES for 2-chloro-N-(2-methylphenyl)-N-(pyrazol-1-ylmethyl)propanamide is Cc1ccccc1N(Cn1cccn1)C(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-(2-methylphenyl)-N-(pyrazol-1-ylmethyl)propanamide?
The InChIKey is LOWDZFMEYBVATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-11-6-3-4-7-13(11)18(14(19)12(2)15)10-17-9-5-8-16-17/h3-9,12H,10H2,1-2H3.
What are the key properties of 2-chloro-N-(2-methylphenyl)-N-(pyrazol-1-ylmethyl)propanamide?
2-chloro-N-(2-methylphenyl)-N-(pyrazol-1-ylmethyl)propanamide has a molecular weight of 277.76 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylphenyl)-N-(pyrazol-1-ylmethyl)propanamide is sourced from PubChem (CID 19805763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).