N-[3-(4-chlorophenyl)propanoyl]-2-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide

C22H23ClN4O2 — CID 169305418

IUPACN-[3-(4-chlorophenyl)propanoyl]-2-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
SMILESCc1c(N(C(=O)CCc2ccc(Cl)cc2)C(=O)C(C)C)n[nH]c1-c1ccncc1
InChIInChI=1S/C22H23ClN4O2/c1-14(2)22(29)27(19(28)9-6-16-4-7-18(23)8-5-16)21-15(3)20(25-26-21)17-10-12-24-13-11-17/h4-5,7-8,10-14H,6,9H2,1-3H3,(H,25,26)
InChIKeyBEONVFAXWRLZRW-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.58
Rot. Bonds6

About N-[3-(4-chlorophenyl)propanoyl]-2-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide

N-[3-(4-chlorophenyl)propanoyl]-2-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide (PubChem CID 169305418) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)propanoyl]-2-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)propanoyl]-2-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
PubChem CID169305418
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC NameN-[3-(4-chlorophenyl)propanoyl]-2-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
SMILESCc1c(N(C(=O)CCc2ccc(Cl)cc2)C(=O)C(C)C)n[nH]c1-c1ccncc1
InChIInChI=1S/C22H23ClN4O2/c1-14(2)22(29)27(19(28)9-6-16-4-7-18(23)8-5-16)21-15(3)20(25-26-21)17-10-12-24-13-11-17/h4-5,7-8,10-14H,6,9H2,1-3H3,(H,25,26)
InChIKeyBEONVFAXWRLZRW-UHFFFAOYSA-N
XLogP4.58
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
CID 169305452
3-[3-(4-chlorophenyl)propanoylamino]-N,N-dimethyl-5-pyridin-4-yl-1H-pyrazole-4-carboxamide
CID 166581204
2-(4-chlorophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
CID 163863888
7-[3-(4-chlorophenyl)propanoyl]-3-pyridin-4-yl-5,6-dihydro-2H-pyrazolo[3,4-b]pyridin-4-one
CID 168678872
3-(4-chlorophenyl)-N-methyl-N-(1-methyl-5-pyridin-4-ylimidazol-2-yl)propanamide
CID 169305406
3-(4-chlorophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-ynamide
CID 169305409
2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110755605
2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]-N,N-dimethylacetamide
CID 22944119
N-methyl-3-phenyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 166581426
3-(4-chlorophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-ynamide;2,2,2-trifluoroacetic acid
CID 175903068
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851
1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylhydrazine
CID 174435150

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)propanoyl]-2-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of N-[3-(4-chlorophenyl)propanoyl]-2-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide (CID 169305418) is N-[3-(4-chlorophenyl)propanoyl]-2-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)propanoyl]-2-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for N-[3-(4-chlorophenyl)propanoyl]-2-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide is Cc1c(N(C(=O)CCc2ccc(Cl)cc2)C(=O)C(C)C)n[nH]c1-c1ccncc1.
What is the InChIKey of N-[3-(4-chlorophenyl)propanoyl]-2-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?
The InChIKey is BEONVFAXWRLZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-14(2)22(29)27(19(28)9-6-16-4-7-18(23)8-5-16)21-15(3)20(25-26-21)17-10-12-24-13-11-17/h4-5,7-8,10-14H,6,9H2,1-3H3,(H,25,26).
What are the key properties of N-[3-(4-chlorophenyl)propanoyl]-2-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?
N-[3-(4-chlorophenyl)propanoyl]-2-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide has a molecular weight of 410.91 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)propanoyl]-2-methyl-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 169305418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).