N-(4-chloro-2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide

C14H16ClN3O2 — CID 42884870

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(C)n1cccn1
InChIInChI=1S/C14H16ClN3O2/c1-9-7-12(13(20-3)8-11(9)15)17-14(19)10(2)18-6-4-5-16-18/h4-8,10H,1-3H3,(H,17,19)
InChIKeyPRZZVVAJSUKUQP-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.05
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide (PubChem CID 42884870) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide
PubChem CID42884870
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(C)n1cccn1
InChIInChI=1S/C14H16ClN3O2/c1-9-7-12(13(20-3)8-11(9)15)17-14(19)10(2)18-6-4-5-16-18/h4-8,10H,1-3H3,(H,17,19)
InChIKeyPRZZVVAJSUKUQP-UHFFFAOYSA-N
XLogP3.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 42949038
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7788336
methyl 4-chloro-3-(2-pyrazol-1-ylpropanoylamino)benzoate
CID 134048539
N-(6-chloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 113262980
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methoxypiperidin-1-yl)propanamide
CID 17397855
N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyclopropylpropanamide
CID 110428070
N-(4-chloro-2-methoxy-5-methylphenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
CID 42928939
(2R)-2-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 103928289
2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]propanamide
CID 43328804
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 120762021

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide (CID 42884870) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide is COc1cc(Cl)c(C)cc1NC(=O)C(C)n1cccn1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide?
The InChIKey is PRZZVVAJSUKUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-9-7-12(13(20-3)8-11(9)15)17-14(19)10(2)18-6-4-5-16-18/h4-8,10H,1-3H3,(H,17,19).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide has a molecular weight of 293.75 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 42884870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).