4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]-5-phenylpentanoic acid

C19H25N3O3 — CID 120546823

IUPAC4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]-5-phenylpentanoic acid
SMILESCC(C)c1cc(C(=O)NC(CCC(=O)O)Cc2ccccc2)nn1C
InChIInChI=1S/C19H25N3O3/c1-13(2)17-12-16(21-22(17)3)19(25)20-15(9-10-18(23)24)11-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3,(H,20,25)(H,23,24)
InChIKeyWNFNCTRWJGCHMB-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.75
Rot. Bonds8

About 4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]-5-phenylpentanoic acid

4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]-5-phenylpentanoic acid (PubChem CID 120546823) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]-5-phenylpentanoic acid
PubChem CID120546823
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]-5-phenylpentanoic acid
SMILESCC(C)c1cc(C(=O)NC(CCC(=O)O)Cc2ccccc2)nn1C
InChIInChI=1S/C19H25N3O3/c1-13(2)17-12-16(21-22(17)3)19(25)20-15(9-10-18(23)24)11-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3,(H,20,25)(H,23,24)
InChIKeyWNFNCTRWJGCHMB-UHFFFAOYSA-N
XLogP2.75
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid
CID 122056821
4-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120547288
4-[2-(2-methylpyrazol-3-yl)propanoylamino]-5-phenylpentanoic acid
CID 122111365
4-[(1,5-dimethylpyrrole-2-carbonyl)amino]-5-phenylpentanoic acid
CID 120546668
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid
CID 120546799
4-[(1-methyl-3-propylpyrazol-5-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122088653
(2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119366410
4-[(3-aminopyrazine-2-carbonyl)amino]-5-phenylpentanoic acid
CID 120546825
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-[(2-methylsulfanylacetyl)amino]-5-phenylpentanoic acid
CID 120546684

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]-5-phenylpentanoic acid (CID 120546823) is 4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]-5-phenylpentanoic acid is CC(C)c1cc(C(=O)NC(CCC(=O)O)Cc2ccccc2)nn1C.
What is the InChIKey of 4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]-5-phenylpentanoic acid?
The InChIKey is WNFNCTRWJGCHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(2)17-12-16(21-22(17)3)19(25)20-15(9-10-18(23)24)11-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3,(H,20,25)(H,23,24).
What are the key properties of 4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]-5-phenylpentanoic acid?
4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]-5-phenylpentanoic acid has a molecular weight of 343.43 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 120546823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).