3-(4-chlorophenyl)-N-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide

C19H19ClN4O — CID 169305452

IUPAC3-(4-chlorophenyl)-N-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
SMILESCc1c(N(C)C(=O)CCc2ccc(Cl)cc2)n[nH]c1-c1ccncc1
InChIInChI=1S/C19H19ClN4O/c1-13-18(15-9-11-21-12-10-15)22-23-19(13)24(2)17(25)8-5-14-3-6-16(20)7-4-14/h3-4,6-7,9-12H,5,8H2,1-2H3,(H,22,23)
InChIKeyYZQPHCXUMKPOER-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.03
Rot. Bonds5

About 3-(4-chlorophenyl)-N-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide

3-(4-chlorophenyl)-N-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide (PubChem CID 169305452) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
PubChem CID169305452
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name3-(4-chlorophenyl)-N-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
SMILESCc1c(N(C)C(=O)CCc2ccc(Cl)cc2)n[nH]c1-c1ccncc1
InChIInChI=1S/C19H19ClN4O/c1-13-18(15-9-11-21-12-10-15)22-23-19(13)24(2)17(25)8-5-14-3-6-16(20)7-4-14/h3-4,6-7,9-12H,5,8H2,1-2H3,(H,22,23)
InChIKeyYZQPHCXUMKPOER-UHFFFAOYSA-N
XLogP4.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide (CID 169305452) is 3-(4-chlorophenyl)-N-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide is Cc1c(N(C)C(=O)CCc2ccc(Cl)cc2)n[nH]c1-c1ccncc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?
The InChIKey is YZQPHCXUMKPOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-13-18(15-9-11-21-12-10-15)22-23-19(13)24(2)17(25)8-5-14-3-6-16(20)7-4-14/h3-4,6-7,9-12H,5,8H2,1-2H3,(H,22,23).
What are the key properties of 3-(4-chlorophenyl)-N-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?
3-(4-chlorophenyl)-N-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide has a molecular weight of 354.84 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 169305452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).