2-[3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid

C23H23N3O3 — CID 122108129

IUPAC2-[3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)c2cnn(C3CCCC3)c2-c2ccccc2)c1
InChIInChI=1S/C23H23N3O3/c27-21(28)14-16-7-6-10-18(13-16)25-23(29)20-15-24-26(19-11-4-5-12-19)22(20)17-8-2-1-3-9-17/h1-3,6-10,13,15,19H,4-5,11-12,14H2,(H,25,29)(H,27,28)
InChIKeyIMNIZWDEIDCSKD-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.54
Rot. Bonds6

About 2-[3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid

2-[3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid (PubChem CID 122108129) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid
PubChem CID122108129
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-[3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)c2cnn(C3CCCC3)c2-c2ccccc2)c1
InChIInChI=1S/C23H23N3O3/c27-21(28)14-16-7-6-10-18(13-16)25-23(29)20-15-24-26(19-11-4-5-12-19)22(20)17-8-2-1-3-9-17/h1-3,6-10,13,15,19H,4-5,11-12,14H2,(H,25,29)(H,27,28)
InChIKeyIMNIZWDEIDCSKD-UHFFFAOYSA-N
XLogP4.54
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 122107208
2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]-3-methoxypropanoic acid
CID 122108945
(E)-2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]hex-4-enoic acid
CID 122108687
1-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperidine-4-carboxylic acid
CID 122106902
2-[3-[[2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]amino]phenyl]acetic acid
CID 119351907
2-[3-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]phenyl]acetic acid
CID 119351711
3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid
CID 122107757
2-[3-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 11220940
2-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)phenyl]acetic acid
CID 120530686
2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid
CID 65350284
N-(3-methylphenyl)-1,5-diphenylpyrazole-4-carboxamide
CID 985834
2-[3-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]phenyl]acetic acid
CID 59654667

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid (CID 122108129) is 2-[3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)c2cnn(C3CCCC3)c2-c2ccccc2)c1.
What is the InChIKey of 2-[3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid?
The InChIKey is IMNIZWDEIDCSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-21(28)14-16-7-6-10-18(13-16)25-23(29)20-15-24-26(19-11-4-5-12-19)22(20)17-8-2-1-3-9-17/h1-3,6-10,13,15,19H,4-5,11-12,14H2,(H,25,29)(H,27,28).
What are the key properties of 2-[3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid?
2-[3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid has a molecular weight of 389.46 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 122108129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).