2-[4-(1H-indole-6-carbonylamino)pyrazol-1-yl]acetic acid

C14H12N4O3 — CID 63748236

IUPAC2-[4-(1H-indole-6-carbonylamino)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)c2ccc3cc[nH]c3c2)cn1
InChIInChI=1S/C14H12N4O3/c19-13(20)8-18-7-11(6-16-18)17-14(21)10-2-1-9-3-4-15-12(9)5-10/h1-7,15H,8H2,(H,17,21)(H,19,20)
InChIKeyRPJNJJUUYKYABH-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.70
Rot. Bonds4

About 2-[4-(1H-indole-6-carbonylamino)pyrazol-1-yl]acetic acid

2-[4-(1H-indole-6-carbonylamino)pyrazol-1-yl]acetic acid (PubChem CID 63748236) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[4-(1H-indole-6-carbonylamino)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1H-indole-6-carbonylamino)pyrazol-1-yl]acetic acid
PubChem CID63748236
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name2-[4-(1H-indole-6-carbonylamino)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)c2ccc3cc[nH]c3c2)cn1
InChIInChI=1S/C14H12N4O3/c19-13(20)8-18-7-11(6-16-18)17-14(21)10-2-1-9-3-4-15-12(9)5-10/h1-7,15H,8H2,(H,17,21)(H,19,20)
InChIKeyRPJNJJUUYKYABH-UHFFFAOYSA-N
XLogP1.70
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1H-indole-4-carbonylamino)pyrazol-1-yl]acetic acid
CID 61018899
2-[4-[(4-methylsulfanylbenzoyl)amino]pyrazol-1-yl]acetic acid
CID 61017597
2-[3-(1H-indole-5-carbonylamino)pyrazol-1-yl]acetic acid
CID 99599206
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
N-(2H-benzotriazol-5-yl)-1H-indole-6-carboxamide
CID 71918413
N-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 95749448
2-[4-[(4-methoxy-3,5-dimethylbenzoyl)amino]pyrazol-1-yl]acetic acid
CID 138002030
4-(1H-indole-6-carbonylamino)pyridine-2-carboxylic acid
CID 63750401
methyl 4-(1H-indole-6-carbonylamino)benzoate
CID 46460139
6-(1H-indole-6-carbonylamino)pyridine-2-carboxylic acid
CID 63749854
N-(2-methyl-1,2,4-triazol-3-yl)-1H-indole-6-carboxamide
CID 80709605
N-(4-methyl-3-pyridinyl)-1H-indole-6-carboxamide
CID 55225910

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indole-6-carbonylamino)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(1H-indole-6-carbonylamino)pyrazol-1-yl]acetic acid (CID 63748236) is 2-[4-(1H-indole-6-carbonylamino)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(1H-indole-6-carbonylamino)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(1H-indole-6-carbonylamino)pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(NC(=O)c2ccc3cc[nH]c3c2)cn1.
What is the InChIKey of 2-[4-(1H-indole-6-carbonylamino)pyrazol-1-yl]acetic acid?
The InChIKey is RPJNJJUUYKYABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c19-13(20)8-18-7-11(6-16-18)17-14(21)10-2-1-9-3-4-15-12(9)5-10/h1-7,15H,8H2,(H,17,21)(H,19,20).
What are the key properties of 2-[4-(1H-indole-6-carbonylamino)pyrazol-1-yl]acetic acid?
2-[4-(1H-indole-6-carbonylamino)pyrazol-1-yl]acetic acid has a molecular weight of 284.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indole-6-carbonylamino)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 63748236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).