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

C13H15N3O3S — CID 50958112

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid
SMILESCc1ccsc1C(=O)NC(C(=O)O)c1c(C)n[nH]c1C
InChIInChI=1S/C13H15N3O3S/c1-6-4-5-20-11(6)12(17)14-10(13(18)19)9-7(2)15-16-8(9)3/h4-5,10H,1-3H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyWXBKKFYMQPSFBD-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.95
Rot. Bonds4

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

2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid (PubChem CID 50958112) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid
PubChem CID50958112
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid
SMILESCc1ccsc1C(=O)NC(C(=O)O)c1c(C)n[nH]c1C
InChIInChI=1S/C13H15N3O3S/c1-6-4-5-20-11(6)12(17)14-10(13(18)19)9-7(2)15-16-8(9)3/h4-5,10H,1-3H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyWXBKKFYMQPSFBD-UHFFFAOYSA-N
XLogP1.95
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methylamino]-2-thiophen-2-ylacetic acid
CID 167940338
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 20950847
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 46341492
(3,5-dimethyl-1H-pyrazol-4-yl){[(4-methyl-5-phenyl-2-thienyl)carbonyl]amino}acetic acid
CID 50954455
(3,5-dimethyl-1H-pyrazol-4-yl)[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-ylcarbonyl)amino]acetic acid
CID 50969553
N-(2-{[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]amino}-1,1-dimethyl-2-oxoethyl)thiophene-2-carboxamide
CID 50971546
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylthiophene-2-carboxamide
CID 56752170
5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid
CID 69250579
2-[[2-Amino-3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]amino]-2-thiophen-2-ylacetic acid
CID 166039449
5-(Thiophene-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 28269246
3,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 43581979
3,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 43582629

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid (CID 50958112) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid is Cc1ccsc1C(=O)NC(C(=O)O)c1c(C)n[nH]c1C.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid?
The InChIKey is WXBKKFYMQPSFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-6-4-5-20-11(6)12(17)14-10(13(18)19)9-7(2)15-16-8(9)3/h4-5,10H,1-3H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid has a molecular weight of 293.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 50958112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).