4-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-phenylpentanoic acid

C16H19N3O3 — CID 120547288

IUPAC4-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-phenylpentanoic acid
SMILESCc1cc(C(=O)NC(CCC(=O)O)Cc2ccccc2)n[nH]1
InChIInChI=1S/C16H19N3O3/c1-11-9-14(19-18-11)16(22)17-13(7-8-15(20)21)10-12-5-3-2-4-6-12/h2-6,9,13H,7-8,10H2,1H3,(H,17,22)(H,18,19)(H,20,21)
InChIKeyISEMBIDJOVIWJJ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.92
Rot. Bonds7

About 4-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-phenylpentanoic acid

4-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-phenylpentanoic acid (PubChem CID 120547288) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-phenylpentanoic acid
PubChem CID120547288
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name4-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-phenylpentanoic acid
SMILESCc1cc(C(=O)NC(CCC(=O)O)Cc2ccccc2)n[nH]1
InChIInChI=1S/C16H19N3O3/c1-11-9-14(19-18-11)16(22)17-13(7-8-15(20)21)10-12-5-3-2-4-6-12/h2-6,9,13H,7-8,10H2,1H3,(H,17,22)(H,18,19)(H,20,21)
InChIKeyISEMBIDJOVIWJJ-UHFFFAOYSA-N
XLogP1.92
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120546823
3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 61032689
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid
CID 120546799
4-[(2,3-dimethylbenzoyl)amino]-5-phenylpentanoic acid
CID 120547076
5-methyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide
CID 167867029
4-[(1,5-dimethylpyrrole-2-carbonyl)amino]-5-phenylpentanoic acid
CID 120546668
4-[(3-aminopyrazine-2-carbonyl)amino]-5-phenylpentanoic acid
CID 120546825
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid
CID 120547172
4-[(2,5-dichlorothiophene-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120547272
4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]-5-phenylpentanoic acid
CID 120547199

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-phenylpentanoic acid (CID 120547288) is 4-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-phenylpentanoic acid is Cc1cc(C(=O)NC(CCC(=O)O)Cc2ccccc2)n[nH]1.
What is the InChIKey of 4-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-phenylpentanoic acid?
The InChIKey is ISEMBIDJOVIWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-9-14(19-18-11)16(22)17-13(7-8-15(20)21)10-12-5-3-2-4-6-12/h2-6,9,13H,7-8,10H2,1H3,(H,17,22)(H,18,19)(H,20,21).
What are the key properties of 4-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-phenylpentanoic acid?
4-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-phenylpentanoic acid has a molecular weight of 301.35 g/mol, XLogP of 1.92, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 120547288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).