1-methyl-3-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrazole-5-carboxamide

C14H19N5O2S — CID 50955268

IUPAC1-methyl-3-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC(=O)Nc2nccs2)n(C)n1
InChIInChI=1S/C14H19N5O2S/c1-9(2)6-10-7-11(19(3)18-10)13(21)16-8-12(20)17-14-15-4-5-22-14/h4-5,7,9H,6,8H2,1-3H3,(H,16,21)(H,15,17,20)
InChIKeyVWFVHAZTTZJCQQ-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.44
Rot. Bonds6

About 1-methyl-3-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrazole-5-carboxamide

1-methyl-3-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrazole-5-carboxamide (PubChem CID 50955268) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 1-methyl-3-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrazole-5-carboxamide
PubChem CID50955268
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name1-methyl-3-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC(=O)Nc2nccs2)n(C)n1
InChIInChI=1S/C14H19N5O2S/c1-9(2)6-10-7-11(19(3)18-10)13(21)16-8-12(20)17-14-15-4-5-22-14/h4-5,7,9H,6,8H2,1-3H3,(H,16,21)(H,15,17,20)
InChIKeyVWFVHAZTTZJCQQ-UHFFFAOYSA-N
XLogP1.44
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
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1-methyl-3-(2-methylpropyl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]pyrazole-5-carboxamide
CID 131939420
(3R)-3-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide
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1-methyl-3-(2-methylpropyl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazole-5-carboxamide
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1-methyl-3-(2-methylpropyl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazole-5-carboxamide
CID 97113328
2-methyl-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrazole-5-carboxamide (CID 50955268) is 1-methyl-3-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrazole-5-carboxamide is CC(C)Cc1cc(C(=O)NCC(=O)Nc2nccs2)n(C)n1.
What is the InChIKey of 1-methyl-3-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrazole-5-carboxamide?
The InChIKey is VWFVHAZTTZJCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-9(2)6-10-7-11(19(3)18-10)13(21)16-8-12(20)17-14-15-4-5-22-14/h4-5,7,9H,6,8H2,1-3H3,(H,16,21)(H,15,17,20).
What are the key properties of 1-methyl-3-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrazole-5-carboxamide?
1-methyl-3-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrazole-5-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 50955268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).