2-[4-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid

C12H15N5O3 — CID 138002036

IUPAC2-[4-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCCc1c(C(=O)Nc2cnn(CC(=O)O)c2)cnn1C
InChIInChI=1S/C12H15N5O3/c1-3-10-9(5-13-16(10)2)12(20)15-8-4-14-17(6-8)7-11(18)19/h4-6H,3,7H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyIRSNJUOREWRXBD-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.52
Rot. Bonds5

About 2-[4-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid

2-[4-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 138002036) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[4-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID138002036
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name2-[4-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCCc1c(C(=O)Nc2cnn(CC(=O)O)c2)cnn1C
InChIInChI=1S/C12H15N5O3/c1-3-10-9(5-13-16(10)2)12(20)15-8-4-14-17(6-8)7-11(18)19/h4-6H,3,7H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyIRSNJUOREWRXBD-UHFFFAOYSA-N
XLogP0.52
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 61018204
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
N-(6-benzamido-3-pyridinyl)-5-ethyl-1-methylpyrazole-4-carboxamide
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2-[4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid
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5-ethyl-1-methylpyrazole-4-carbohydrazide;hydrochloride
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1-(5-ethyl-1-methylpyrazol-4-yl)ethanone
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2-[4-(1H-pyrrole-2-carbonylamino)pyrazol-1-yl]acetic acid
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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
5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride
CID 54594161
2-[4-[(1-propan-2-ylpyrrole-2-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61017856
2-[4-[(5-bromo-2-iodobenzoyl)amino]pyrazol-1-yl]acetic acid
CID 61017341

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid (CID 138002036) is 2-[4-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid is CCc1c(C(=O)Nc2cnn(CC(=O)O)c2)cnn1C.
What is the InChIKey of 2-[4-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is IRSNJUOREWRXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-3-10-9(5-13-16(10)2)12(20)15-8-4-14-17(6-8)7-11(18)19/h4-6H,3,7H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2-[4-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid?
2-[4-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 277.28 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 138002036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).