N-(1-methylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)propanamide

C16H21N3O — CID 47284219

IUPACN-(1-methylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(CCC(=O)Nc2cnn(C)c2)cc1
InChIInChI=1S/C16H21N3O/c1-12(2)14-7-4-13(5-8-14)6-9-16(20)18-15-10-17-19(3)11-15/h4-5,7-8,10-12H,6,9H2,1-3H3,(H,18,20)
InChIKeyXTLSLAVMOWIJRU-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.11
Rot. Bonds5

About N-(1-methylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)propanamide

N-(1-methylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)propanamide (PubChem CID 47284219) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)propanamide
PubChem CID47284219
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(1-methylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(CCC(=O)Nc2cnn(C)c2)cc1
InChIInChI=1S/C16H21N3O/c1-12(2)14-7-4-13(5-8-14)6-9-16(20)18-15-10-17-19(3)11-15/h4-5,7-8,10-12H,6,9H2,1-3H3,(H,18,20)
InChIKeyXTLSLAVMOWIJRU-UHFFFAOYSA-N
XLogP3.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)propanamide (CID 47284219) is N-(1-methylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(CCC(=O)Nc2cnn(C)c2)cc1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)propanamide?
The InChIKey is XTLSLAVMOWIJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)14-7-4-13(5-8-14)6-9-16(20)18-15-10-17-19(3)11-15/h4-5,7-8,10-12H,6,9H2,1-3H3,(H,18,20).
What are the key properties of N-(1-methylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)propanamide?
N-(1-methylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)propanamide has a molecular weight of 271.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 47284219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).