4-chloro-N-(2-methoxyethyl)-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide

C12H15ClN4O2S — CID 121499625

IUPAC4-chloro-N-(2-methoxyethyl)-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCOCCN(Cc1nccs1)C(=O)c1n[nH]c(C)c1Cl
InChIInChI=1S/C12H15ClN4O2S/c1-8-10(13)11(16-15-8)12(18)17(4-5-19-2)7-9-14-3-6-20-9/h3,6H,4-5,7H2,1-2H3,(H,15,16)
InChIKeyANXBJXYEEHAVFT-UHFFFAOYSA-N
MW314.80 g/mol
LogP2.12
Rot. Bonds6

About 4-chloro-N-(2-methoxyethyl)-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide

4-chloro-N-(2-methoxyethyl)-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 121499625) has the molecular formula C12H15ClN4O2S and a molecular weight of 314.80 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxyethyl)-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-methoxyethyl)-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID121499625
Molecular FormulaC12H15ClN4O2S
Molecular Weight314.80 g/mol
Exact Mass314.06
IUPAC Name4-chloro-N-(2-methoxyethyl)-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCOCCN(Cc1nccs1)C(=O)c1n[nH]c(C)c1Cl
InChIInChI=1S/C12H15ClN4O2S/c1-8-10(13)11(16-15-8)12(18)17(4-5-19-2)7-9-14-3-6-20-9/h3,6H,4-5,7H2,1-2H3,(H,15,16)
InChIKeyANXBJXYEEHAVFT-UHFFFAOYSA-N
XLogP2.12
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Morpholin-4-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97461908
4-chloro-N,1-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 50960355
4-chloro-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-3-carboxamide
CID 125440064
4-chloro-N,1-dimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 95125592
4-chloro-N,1-dimethyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 95125593
N-cyclopropyl-3-(difluoromethyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 121513518
[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 154784039
5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 49411134
4-amino-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62082310
4-amino-5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 63239036
4-amino-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 64486580
4-amino-5-methyl-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-3-carboxamide
CID 64487550

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxyethyl)-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(2-methoxyethyl)-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide (CID 121499625) is 4-chloro-N-(2-methoxyethyl)-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-methoxyethyl)-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2-methoxyethyl)-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide is COCCN(Cc1nccs1)C(=O)c1n[nH]c(C)c1Cl.
What is the InChIKey of 4-chloro-N-(2-methoxyethyl)-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is ANXBJXYEEHAVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2S/c1-8-10(13)11(16-15-8)12(18)17(4-5-19-2)7-9-14-3-6-20-9/h3,6H,4-5,7H2,1-2H3,(H,15,16).
What are the key properties of 4-chloro-N-(2-methoxyethyl)-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide?
4-chloro-N-(2-methoxyethyl)-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 314.80 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxyethyl)-5-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 121499625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).