3-[3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]propanoic acid

C19H25N3O3 — CID 120538133

IUPAC3-[3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]propanoic acid
SMILESCCC(CC)n1nc(C(=O)Nc2cccc(CCC(=O)O)c2)cc1C
InChIInChI=1S/C19H25N3O3/c1-4-16(5-2)22-13(3)11-17(21-22)19(25)20-15-8-6-7-14(12-15)9-10-18(23)24/h6-8,11-12,16H,4-5,9-10H2,1-3H3,(H,20,25)(H,23,24)
InChIKeyGAYHRCKUYQRBDR-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.82
Rot. Bonds8

About 3-[3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]propanoic acid

3-[3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]propanoic acid (PubChem CID 120538133) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]propanoic acid
PubChem CID120538133
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-[3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]propanoic acid
SMILESCCC(CC)n1nc(C(=O)Nc2cccc(CCC(=O)O)c2)cc1C
InChIInChI=1S/C19H25N3O3/c1-4-16(5-2)22-13(3)11-17(21-22)19(25)20-15-8-6-7-14(12-15)9-10-18(23)24/h6-8,11-12,16H,4-5,9-10H2,1-3H3,(H,20,25)(H,23,24)
InChIKeyGAYHRCKUYQRBDR-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 120523442
2-[[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid
CID 120522620
N-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 119438262
5-methyl-N-phenyl-1-propan-2-ylpyrazole-3-carboxamide
CID 110681605
3-[3-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]phenyl]propanoic acid
CID 120538135
3-[3-(propan-2-yloxycarbonylamino)phenyl]propanoic acid
CID 113290372
N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 75447494
3-[3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]phenyl]propanoic acid
CID 115339246
3-[3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid
CID 115339293
3-[3-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]phenyl]propanoic acid
CID 120538137
3-[3-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanoic acid
CID 115339893
3-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid
CID 115339330

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]propanoic acid (CID 120538133) is 3-[3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]propanoic acid is CCC(CC)n1nc(C(=O)Nc2cccc(CCC(=O)O)c2)cc1C.
What is the InChIKey of 3-[3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is GAYHRCKUYQRBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-16(5-2)22-13(3)11-17(21-22)19(25)20-15-8-6-7-14(12-15)9-10-18(23)24/h6-8,11-12,16H,4-5,9-10H2,1-3H3,(H,20,25)(H,23,24).
What are the key properties of 3-[3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]propanoic acid?
3-[3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 343.43 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 120538133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).