N-[4-(3-phenylpropanoylamino)phenyl]-1-propan-2-ylpyrazole-4-carboxamide

C22H24N4O2 — CID 131905156

IUPACN-[4-(3-phenylpropanoylamino)phenyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cn1
InChIInChI=1S/C22H24N4O2/c1-16(2)26-15-18(14-23-26)22(28)25-20-11-9-19(10-12-20)24-21(27)13-8-17-6-4-3-5-7-17/h3-7,9-12,14-16H,8,13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyLZDOBUXFHYLASV-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.29
Rot. Bonds7

About N-[4-(3-phenylpropanoylamino)phenyl]-1-propan-2-ylpyrazole-4-carboxamide

N-[4-(3-phenylpropanoylamino)phenyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 131905156) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-(3-phenylpropanoylamino)phenyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-phenylpropanoylamino)phenyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID131905156
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[4-(3-phenylpropanoylamino)phenyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cn1
InChIInChI=1S/C22H24N4O2/c1-16(2)26-15-18(14-23-26)22(28)25-20-11-9-19(10-12-20)24-21(27)13-8-17-6-4-3-5-7-17/h3-7,9-12,14-16H,8,13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyLZDOBUXFHYLASV-UHFFFAOYSA-N
XLogP4.29
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 778861
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N-[3-(3-phenylpropanoylamino)phenyl]-3-propan-2-yloxybenzamide
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N-(4-hydroxyphenyl)-3-phenylpropanamide
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4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid
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CID 17233516

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-phenylpropanoylamino)phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(3-phenylpropanoylamino)phenyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 131905156) is N-[4-(3-phenylpropanoylamino)phenyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(3-phenylpropanoylamino)phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(3-phenylpropanoylamino)phenyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1cc(C(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cn1.
What is the InChIKey of N-[4-(3-phenylpropanoylamino)phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is LZDOBUXFHYLASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16(2)26-15-18(14-23-26)22(28)25-20-11-9-19(10-12-20)24-21(27)13-8-17-6-4-3-5-7-17/h3-7,9-12,14-16H,8,13H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-[4-(3-phenylpropanoylamino)phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
N-[4-(3-phenylpropanoylamino)phenyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-phenylpropanoylamino)phenyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 131905156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).