3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide

C25H30N4O — CID 46295814

IUPAC3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCCN2CCCC2)cc1
InChIInChI=1S/C25H30N4O/c1-20-9-11-21(12-10-20)25-22(19-29(27-25)23-7-3-2-4-8-23)13-14-24(30)26-15-18-28-16-5-6-17-28/h2-4,7-12,19H,5-6,13-18H2,1H3,(H,26,30)
InChIKeyQJJSZCPPRFUQDH-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.99
Rot. Bonds8

About 3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide

3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 46295814) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
PubChem CID46295814
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCCN2CCCC2)cc1
InChIInChI=1S/C25H30N4O/c1-20-9-11-21(12-10-20)25-22(19-29(27-25)23-7-3-2-4-8-23)13-14-24(30)26-15-18-28-16-5-6-17-28/h2-4,7-12,19H,5-6,13-18H2,1H3,(H,26,30)
InChIKeyQJJSZCPPRFUQDH-UHFFFAOYSA-N
XLogP3.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-diphenylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 46295921
N-[3-[cyclohexyl(methyl)amino]propyl]-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]propanamide
CID 46295820
N-[3-[benzyl(methyl)amino]propyl]-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]propanamide
CID 46295810
N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide
CID 46295888
1-(azepan-1-yl)-3-(1,3-diphenylpyrazol-4-yl)propan-1-one
CID 46295896
N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]-4-(methylamino)butanamide
CID 119756780
2-chloro-N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]acetamide
CID 167935958
N-benzyl-3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]propanamide
CID 53033046
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]propanamide
CID 92866995
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 55097553
3-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 91871983

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 46295814) is 3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide is Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCCN2CCCC2)cc1.
What is the InChIKey of 3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is QJJSZCPPRFUQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-20-9-11-21(12-10-20)25-22(19-29(27-25)23-7-3-2-4-8-23)13-14-24(30)26-15-18-28-16-5-6-17-28/h2-4,7-12,19H,5-6,13-18H2,1H3,(H,26,30).
What are the key properties of 3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 402.54 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 46295814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).