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

C10H10N4O3 — CID 61018085

IUPAC2-[4-(1H-pyrrole-2-carbonylamino)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)c2ccc[nH]2)cn1
InChIInChI=1S/C10H10N4O3/c15-9(16)6-14-5-7(4-12-14)13-10(17)8-2-1-3-11-8/h1-5,11H,6H2,(H,13,17)(H,15,16)
InChIKeyLRMUBSBILQKFRP-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.55
Rot. Bonds4

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

2-[4-(1H-pyrrole-2-carbonylamino)pyrazol-1-yl]acetic acid (PubChem CID 61018085) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-[4-(1H-pyrrole-2-carbonylamino)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1H-pyrrole-2-carbonylamino)pyrazol-1-yl]acetic acid
PubChem CID61018085
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name2-[4-(1H-pyrrole-2-carbonylamino)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)c2ccc[nH]2)cn1
InChIInChI=1S/C10H10N4O3/c15-9(16)6-14-5-7(4-12-14)13-10(17)8-2-1-3-11-8/h1-5,11H,6H2,(H,13,17)(H,15,16)
InChIKeyLRMUBSBILQKFRP-UHFFFAOYSA-N
XLogP0.55
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
CID 110470884
2-[4-(1H-indole-4-carbonylamino)pyrazol-1-yl]acetic acid
CID 61018899
2-[4-(1H-indole-6-carbonylamino)pyrazol-1-yl]acetic acid
CID 63748236
2-[4-(1H-pyrazole-4-carbonylamino)pyrazol-1-yl]acetic acid
CID 61019180
2-[4-[(4-methylsulfanylbenzoyl)amino]pyrazol-1-yl]acetic acid
CID 61017597
2-[4-[(1-propan-2-ylpyrrole-2-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61017856
2-[4-[(1H-pyrrole-2-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 115457672
2-[4-(1H-indazole-3-carbonylamino)pyrazol-1-yl]acetic acid
CID 61018614
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
2-[4-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 138002036
2-[4-[(4-methoxy-3,5-dimethylbenzoyl)amino]pyrazol-1-yl]acetic acid
CID 138002030

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrrole-2-carbonylamino)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(1H-pyrrole-2-carbonylamino)pyrazol-1-yl]acetic acid (CID 61018085) is 2-[4-(1H-pyrrole-2-carbonylamino)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(1H-pyrrole-2-carbonylamino)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(1H-pyrrole-2-carbonylamino)pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(NC(=O)c2ccc[nH]2)cn1.
What is the InChIKey of 2-[4-(1H-pyrrole-2-carbonylamino)pyrazol-1-yl]acetic acid?
The InChIKey is LRMUBSBILQKFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c15-9(16)6-14-5-7(4-12-14)13-10(17)8-2-1-3-11-8/h1-5,11H,6H2,(H,13,17)(H,15,16).
What are the key properties of 2-[4-(1H-pyrrole-2-carbonylamino)pyrazol-1-yl]acetic acid?
2-[4-(1H-pyrrole-2-carbonylamino)pyrazol-1-yl]acetic acid has a molecular weight of 234.22 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrrole-2-carbonylamino)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61018085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).