2-[3-(1H-indole-5-carbonylamino)pyrazol-1-yl]acetic acid

C14H12N4O3 — CID 99599206

IUPAC2-[3-(1H-indole-5-carbonylamino)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)c2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C14H12N4O3/c19-13(20)8-18-6-4-12(17-18)16-14(21)10-1-2-11-9(7-10)3-5-15-11/h1-7,15H,8H2,(H,19,20)(H,16,17,21)
InChIKeyKQRMDDGKLSNPPA-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.70
Rot. Bonds4

About 2-[3-(1H-indole-5-carbonylamino)pyrazol-1-yl]acetic acid

2-[3-(1H-indole-5-carbonylamino)pyrazol-1-yl]acetic acid (PubChem CID 99599206) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[3-(1H-indole-5-carbonylamino)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(1H-indole-5-carbonylamino)pyrazol-1-yl]acetic acid
PubChem CID99599206
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name2-[3-(1H-indole-5-carbonylamino)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)c2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C14H12N4O3/c19-13(20)8-18-6-4-12(17-18)16-14(21)10-1-2-11-9(7-10)3-5-15-11/h1-7,15H,8H2,(H,19,20)(H,16,17,21)
InChIKeyKQRMDDGKLSNPPA-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-6-carbonylamino)pyrazol-1-yl]acetic acid
CID 63748236
2-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119069700
N-pyridazin-3-yl-1H-indole-5-carboxamide
CID 115635745
2-[3-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid
CID 119231069
N-quinolin-2-yl-1H-indole-5-carboxamide
CID 134151071
2-[4-(1H-indole-5-carbonylamino)piperidin-1-yl]acetic acid
CID 121494840
2-[3-[(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 167878130
2-[3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]pyrazol-1-yl]acetic acid
CID 119230457
3-(1H-indol-5-yl)-3-oxopropanoic acid
CID 170886874
3-[4-(1H-indole-5-carbonylamino)phenyl]propanoic acid
CID 75495645
6-(1H-indole-6-carbonylamino)pyridine-2-carboxylic acid
CID 63749854
N-(1H-1,2,4-triazol-5-yl)-1H-indole-5-carboxamide
CID 63718442

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-indole-5-carbonylamino)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-(1H-indole-5-carbonylamino)pyrazol-1-yl]acetic acid (CID 99599206) is 2-[3-(1H-indole-5-carbonylamino)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(1H-indole-5-carbonylamino)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(1H-indole-5-carbonylamino)pyrazol-1-yl]acetic acid is O=C(O)Cn1ccc(NC(=O)c2ccc3[nH]ccc3c2)n1.
What is the InChIKey of 2-[3-(1H-indole-5-carbonylamino)pyrazol-1-yl]acetic acid?
The InChIKey is KQRMDDGKLSNPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c19-13(20)8-18-6-4-12(17-18)16-14(21)10-1-2-11-9(7-10)3-5-15-11/h1-7,15H,8H2,(H,19,20)(H,16,17,21).
What are the key properties of 2-[3-(1H-indole-5-carbonylamino)pyrazol-1-yl]acetic acid?
2-[3-(1H-indole-5-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-[3-(1H-indole-5-carbonylamino)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 99599206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).