1-[3-[[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid

C14H14N6O3S — CID 19470836

IUPAC1-[3-[[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
SMILESCn1nccc1-c1csc(NC(=O)CCn2ccc(C(=O)O)n2)n1
InChIInChI=1S/C14H14N6O3S/c1-19-11(2-5-15-19)10-8-24-14(16-10)17-12(21)4-7-20-6-3-9(18-20)13(22)23/h2-3,5-6,8H,4,7H2,1H3,(H,22,23)(H,16,17,21)
InChIKeyZQPBZNLLSFKECB-UHFFFAOYSA-N
MW346.37 g/mol
LogP1.47
Rot. Bonds6

About 1-[3-[[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid

1-[3-[[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid (PubChem CID 19470836) has the molecular formula C14H14N6O3S and a molecular weight of 346.37 g/mol. Its IUPAC name is 1-[3-[[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-[[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
PubChem CID19470836
Molecular FormulaC14H14N6O3S
Molecular Weight346.37 g/mol
Exact Mass346.08
IUPAC Name1-[3-[[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
SMILESCn1nccc1-c1csc(NC(=O)CCn2ccc(C(=O)O)n2)n1
InChIInChI=1S/C14H14N6O3S/c1-19-11(2-5-15-19)10-8-24-14(16-10)17-12(21)4-7-20-6-3-9(18-20)13(22)23/h2-3,5-6,8H,4,7H2,1H3,(H,22,23)(H,16,17,21)
InChIKeyZQPBZNLLSFKECB-UHFFFAOYSA-N
XLogP1.47
TPSA114.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[3-[[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid with MolForge

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Related Compounds

2-(1-ethyltriazol-4-yl)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 167813319
(1R,5S)-6-methyl-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 167939990
1-[2-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502325
1-[3-(3-chloro-4-methylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470648
1-[3-[1-(4-tert-butylphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470667
1-[3-(2,4-difluoroanilino)-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470570
1-[3-[[1-(ethoxymethyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470809
N-(4-benzyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylpropanamide
CID 75477161
1-[3-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470652
1-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470773
1-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-3-[[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methyl]urea
CID 167901737
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 31347334

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[3-[[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid (CID 19470836) is 1-[3-[[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[3-[[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[3-[[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid is Cn1nccc1-c1csc(NC(=O)CCn2ccc(C(=O)O)n2)n1.
What is the InChIKey of 1-[3-[[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid?
The InChIKey is ZQPBZNLLSFKECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O3S/c1-19-11(2-5-15-19)10-8-24-14(16-10)17-12(21)4-7-20-6-3-9(18-20)13(22)23/h2-3,5-6,8H,4,7H2,1H3,(H,22,23)(H,16,17,21).
What are the key properties of 1-[3-[[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid?
1-[3-[[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid has a molecular weight of 346.37 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19470836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).