2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid

C11H13N5O3 — CID 19500808

IUPAC2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
SMILESCCn1cc(NC(=O)c2cnn(CC(=O)O)c2)cn1
InChIInChI=1S/C11H13N5O3/c1-2-15-6-9(4-13-15)14-11(19)8-3-12-16(5-8)7-10(17)18/h3-6H,2,7H2,1H3,(H,14,19)(H,17,18)
InChIKeyVVZGQZHMYRRTRP-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.44
Rot. Bonds5

About 2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid

2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19500808) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19500808
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
SMILESCCn1cc(NC(=O)c2cnn(CC(=O)O)c2)cn1
InChIInChI=1S/C11H13N5O3/c1-2-15-6-9(4-13-15)14-11(19)8-3-12-16(5-8)7-10(17)18/h3-6H,2,7H2,1H3,(H,14,19)(H,17,18)
InChIKeyVVZGQZHMYRRTRP-UHFFFAOYSA-N
XLogP0.44
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500803
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504805
4-amino-N-(1-ethylpyrazol-4-yl)benzamide
CID 43543193
2-[4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500802
2-[4-[(3,5-dichlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500464
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-[(4-methoxy-3,5-dimethylbenzoyl)amino]pyrazol-1-yl]acetic acid
CID 138002030
1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280974
2-[4-[(3,4-dichlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500506

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid (CID 19500808) is 2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid is CCn1cc(NC(=O)c2cnn(CC(=O)O)c2)cn1.
What is the InChIKey of 2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is VVZGQZHMYRRTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-2-15-6-9(4-13-15)14-11(19)8-3-12-16(5-8)7-10(17)18/h3-6H,2,7H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid?
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 263.26 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19500808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).