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

C9H9N5O3 — CID 61019180

IUPAC2-[4-(1H-pyrazole-4-carbonylamino)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)c2cn[nH]c2)cn1
InChIInChI=1S/C9H9N5O3/c15-8(16)5-14-4-7(3-12-14)13-9(17)6-1-10-11-2-6/h1-4H,5H2,(H,10,11)(H,13,17)(H,15,16)
InChIKeyPMRIULMTAZWYQJ-UHFFFAOYSA-N
MW235.20 g/mol
LogP-0.06
Rot. Bonds4

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

2-[4-(1H-pyrazole-4-carbonylamino)pyrazol-1-yl]acetic acid (PubChem CID 61019180) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-[4-(1H-pyrazole-4-carbonylamino)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1H-pyrazole-4-carbonylamino)pyrazol-1-yl]acetic acid
PubChem CID61019180
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC Name2-[4-(1H-pyrazole-4-carbonylamino)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)c2cn[nH]c2)cn1
InChIInChI=1S/C9H9N5O3/c15-8(16)5-14-4-7(3-12-14)13-9(17)6-1-10-11-2-6/h1-4H,5H2,(H,10,11)(H,13,17)(H,15,16)
InChIKeyPMRIULMTAZWYQJ-UHFFFAOYSA-N
XLogP-0.06
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
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2-[4-[(4-methylsulfanylbenzoyl)amino]pyrazol-1-yl]acetic acid
CID 61017597
N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-carboxamide
CID 62904126
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
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2-[4-(1H-pyrrole-2-carbonylamino)pyrazol-1-yl]acetic acid
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2-[4-(1H-indole-6-carbonylamino)pyrazol-1-yl]acetic acid
CID 63748236
2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid
CID 103513201
2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid
CID 61285548
2-[4-[(3,5-dichlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500464
2-[4-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61018758
2-[4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61017722

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrazole-4-carbonylamino)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(1H-pyrazole-4-carbonylamino)pyrazol-1-yl]acetic acid (CID 61019180) is 2-[4-(1H-pyrazole-4-carbonylamino)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(1H-pyrazole-4-carbonylamino)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(1H-pyrazole-4-carbonylamino)pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(NC(=O)c2cn[nH]c2)cn1.
What is the InChIKey of 2-[4-(1H-pyrazole-4-carbonylamino)pyrazol-1-yl]acetic acid?
The InChIKey is PMRIULMTAZWYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c15-8(16)5-14-4-7(3-12-14)13-9(17)6-1-10-11-2-6/h1-4H,5H2,(H,10,11)(H,13,17)(H,15,16).
What are the key properties of 2-[4-(1H-pyrazole-4-carbonylamino)pyrazol-1-yl]acetic acid?
2-[4-(1H-pyrazole-4-carbonylamino)pyrazol-1-yl]acetic acid has a molecular weight of 235.20 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrazole-4-carbonylamino)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61019180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).