N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide

C18H25N3O — CID 86979952

IUPACN-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)CCn2cccn2)cc1
InChIInChI=1S/C18H25N3O/c1-14(2)13-16-5-7-17(8-6-16)15(3)20-18(22)9-12-21-11-4-10-19-21/h4-8,10-11,14-15H,9,12-13H2,1-3H3,(H,20,22)
InChIKeySEDGGHUIWVLTBJ-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.35
Rot. Bonds7

About N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide

N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide (PubChem CID 86979952) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide
PubChem CID86979952
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)CCn2cccn2)cc1
InChIInChI=1S/C18H25N3O/c1-14(2)13-16-5-7-17(8-6-16)15(3)20-18(22)9-12-21-11-4-10-19-21/h4-8,10-11,14-15H,9,12-13H2,1-3H3,(H,20,22)
InChIKeySEDGGHUIWVLTBJ-UHFFFAOYSA-N
XLogP3.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylimidazol-2-yl)sulfanyl-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 40529496
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708566
4-pyrazol-1-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 94345249
N-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide
CID 114390009
3-pyrazol-1-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 60912135
3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]propanamide
CID 8500657
4-methoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide
CID 86997778
(2R)-4-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid
CID 28788895
2-[4-(2-methylpropyl)phenyl]-N-(1-phenylethyl)acetamide
CID 86249193
N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyrazol-1-ylpropanamide
CID 97089030
N-[(2S)-1-(2-bromophenyl)propan-2-yl]-3-pyrazol-1-ylpropanamide
CID 97087813
2-ethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 60636134

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide (CID 86979952) is N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide is CC(C)Cc1ccc(C(C)NC(=O)CCn2cccn2)cc1.
What is the InChIKey of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is SEDGGHUIWVLTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14(2)13-16-5-7-17(8-6-16)15(3)20-18(22)9-12-21-11-4-10-19-21/h4-8,10-11,14-15H,9,12-13H2,1-3H3,(H,20,22).
What are the key properties of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide?
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 299.42 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 86979952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).