3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]-2-phenylpropanoic acid

C19H25N3O3 — CID 120528822

IUPAC3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]-2-phenylpropanoic acid
SMILESCCC(CC)n1nc(C(=O)NCC(C(=O)O)c2ccccc2)cc1C
InChIInChI=1S/C19H25N3O3/c1-4-15(5-2)22-13(3)11-17(21-22)18(23)20-12-16(19(24)25)14-9-7-6-8-10-14/h6-11,15-16H,4-5,12H2,1-3H3,(H,20,23)(H,24,25)
InChIKeyYZOPWQQAGMQPOL-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.15
Rot. Bonds8

About 3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]-2-phenylpropanoic acid

3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]-2-phenylpropanoic acid (PubChem CID 120528822) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]-2-phenylpropanoic acid
PubChem CID120528822
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]-2-phenylpropanoic acid
SMILESCCC(CC)n1nc(C(=O)NCC(C(=O)O)c2ccccc2)cc1C
InChIInChI=1S/C19H25N3O3/c1-4-15(5-2)22-13(3)11-17(21-22)18(23)20-12-16(19(24)25)14-9-7-6-8-10-14/h6-11,15-16H,4-5,12H2,1-3H3,(H,20,23)(H,24,25)
InChIKeyYZOPWQQAGMQPOL-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62884347
5-methyl-1-phenyl-N-(2-phenylbutyl)pyrazole-3-carboxamide
CID 55756841
N,5-dimethyl-1-(1-phenylpropyl)pyrazole-3-carboxamide
CID 167263143
N-(2-amino-2-phenylethyl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 119528413
2-phenyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 119254491
3-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-2-phenylpropanoic acid
CID 119254613
3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]-2-phenylpropanoic acid
CID 120528856
5-[(2-carboxy-2-phenylethyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 162349981
3-(furan-3-carbonylamino)-2-phenylpropanoic acid
CID 62883834
2-phenyl-3-[[3-(propylcarbamoyl)benzoyl]amino]propanoic acid
CID 119254516
3-[(5-hydroxypyridine-3-carbonyl)amino]-2-phenylpropanoic acid
CID 63851328
2-[[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid
CID 120522620

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]-2-phenylpropanoic acid (CID 120528822) is 3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]-2-phenylpropanoic acid is CCC(CC)n1nc(C(=O)NCC(C(=O)O)c2ccccc2)cc1C.
What is the InChIKey of 3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]-2-phenylpropanoic acid?
The InChIKey is YZOPWQQAGMQPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-15(5-2)22-13(3)11-17(21-22)18(23)20-12-16(19(24)25)14-9-7-6-8-10-14/h6-11,15-16H,4-5,12H2,1-3H3,(H,20,23)(H,24,25).
What are the key properties of 3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]-2-phenylpropanoic acid?
3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]-2-phenylpropanoic acid has a molecular weight of 343.43 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 120528822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).