2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid

C12H15N5O3 — CID 115288223

IUPAC2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCc1n[nH]c(C)c1C(=O)NC(C(=O)O)c1cnn(C)c1
InChIInChI=1S/C12H15N5O3/c1-6-9(7(2)16-15-6)11(18)14-10(12(19)20)8-4-13-17(3)5-8/h4-5,10H,1-3H3,(H,14,18)(H,15,16)(H,19,20)
InChIKeyZVRUJKYJKOHFNK-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.32
Rot. Bonds4

About 2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid

2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid (PubChem CID 115288223) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
PubChem CID115288223
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCc1n[nH]c(C)c1C(=O)NC(C(=O)O)c1cnn(C)c1
InChIInChI=1S/C12H15N5O3/c1-6-9(7(2)16-15-6)11(18)14-10(12(19)20)8-4-13-17(3)5-8/h4-5,10H,1-3H3,(H,14,18)(H,15,16)(H,19,20)
InChIKeyZVRUJKYJKOHFNK-UHFFFAOYSA-N
XLogP0.32
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115287982
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288203
2-[(4-hydroxybenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288199
2-[(3,4-dimethylbenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115287952
2-(1-methylpyrazol-4-yl)-2-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetic acid
CID 115288116
2-(tert-butylcarbamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288293
2-(1-methylpyrazol-4-yl)-2-(1,2,5-thiadiazole-3-carbonylamino)acetic acid
CID 115288107
2-[(2-hydroxy-5-methylbenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288214
2-[(4-hydroxy-2-methylbenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 107670892
2-[[(2R)-2-aminopropanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288761
2-(1-methylpyrazol-4-yl)-2-(prop-2-enoylamino)acetic acid
CID 115287988
2-(2,3-dimethylbutanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288233

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid (CID 115288223) is 2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid is Cc1n[nH]c(C)c1C(=O)NC(C(=O)O)c1cnn(C)c1.
What is the InChIKey of 2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The InChIKey is ZVRUJKYJKOHFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-6-9(7(2)16-15-6)11(18)14-10(12(19)20)8-4-13-17(3)5-8/h4-5,10H,1-3H3,(H,14,18)(H,15,16)(H,19,20).
What are the key properties of 2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid has a molecular weight of 277.28 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 115288223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).