3-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid

C15H16N6O3S — CID 19498363

IUPAC3-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCCn1cc(-c2csc(NC(=O)c3nn(C)cc3C(=O)O)n2)c(C)n1
InChIInChI=1S/C15H16N6O3S/c1-4-21-6-9(8(2)18-21)11-7-25-15(16-11)17-13(22)12-10(14(23)24)5-20(3)19-12/h5-7H,4H2,1-3H3,(H,23,24)(H,16,17,22)
InChIKeyZVEHMWSRMQFDKX-UHFFFAOYSA-N
MW360.40 g/mol
LogP2.02
Rot. Bonds5

About 3-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid

3-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 19498363) has the molecular formula C15H16N6O3S and a molecular weight of 360.40 g/mol. Its IUPAC name is 3-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID19498363
Molecular FormulaC15H16N6O3S
Molecular Weight360.40 g/mol
Exact Mass360.10
IUPAC Name3-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCCn1cc(-c2csc(NC(=O)c3nn(C)cc3C(=O)O)n2)c(C)n1
InChIInChI=1S/C15H16N6O3S/c1-4-21-6-9(8(2)18-21)11-7-25-15(16-11)17-13(22)12-10(14(23)24)5-20(3)19-12/h5-7H,4H2,1-3H3,(H,23,24)(H,16,17,22)
InChIKeyZVEHMWSRMQFDKX-UHFFFAOYSA-N
XLogP2.02
TPSA114.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29095813
1-[2-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502325
N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 19590809
(1S,2R,3S,4S)-3-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98222322
3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19624001
N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495148
4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 6485376
4-[(3-chlorophenoxy)methyl]-N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 19505303
3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29095797
2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide
CID 19499395
3-(hydrazinecarbonyl)-1-methylpyrazole-4-carboxylic acid
CID 25252406
3-[(2,6-dimethylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19496533

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 3-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid (CID 19498363) is 3-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid is CCn1cc(-c2csc(NC(=O)c3nn(C)cc3C(=O)O)n2)c(C)n1.
What is the InChIKey of 3-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is ZVEHMWSRMQFDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3S/c1-4-21-6-9(8(2)18-21)11-7-25-15(16-11)17-13(22)12-10(14(23)24)5-20(3)19-12/h5-7H,4H2,1-3H3,(H,23,24)(H,16,17,22).
What are the key properties of 3-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
3-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 360.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 19498363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).