N-(2-hydroxyethyl)-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide

C13H18N4O2S — CID 70769198

IUPACN-(2-hydroxyethyl)-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N(CCO)Cc2nccs2)n[nH]1
InChIInChI=1S/C13H18N4O2S/c1-2-3-10-8-11(16-15-10)13(19)17(5-6-18)9-12-14-4-7-20-12/h4,7-8,18H,2-3,5-6,9H2,1H3,(H,15,16)
InChIKeyJTHFNINMLOQKAE-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.45
Rot. Bonds7

About N-(2-hydroxyethyl)-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide

N-(2-hydroxyethyl)-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 70769198) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID70769198
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-(2-hydroxyethyl)-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N(CCO)Cc2nccs2)n[nH]1
InChIInChI=1S/C13H18N4O2S/c1-2-3-10-8-11(16-15-10)13(19)17(5-6-18)9-12-14-4-7-20-12/h4,7-8,18H,2-3,5-6,9H2,1H3,(H,15,16)
InChIKeyJTHFNINMLOQKAE-UHFFFAOYSA-N
XLogP1.45
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-3-(5-methyl-2-thienyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 70725637
5-cyclopropyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazole-3-carboxamide
CID 71875704
5-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 75373898
N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97461840
N-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 178296726
N-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 97115981
5-cyclopropyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 137997215
5-cyclopropyl-1-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]pyrazole-3-carboxamide
CID 164633450
3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 70775679
N-cyclopropyl-3-(difluoromethyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 121513518
5-ethyl-N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 128990918
[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
CID 46958900

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide (CID 70769198) is N-(2-hydroxyethyl)-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)N(CCO)Cc2nccs2)n[nH]1.
What is the InChIKey of N-(2-hydroxyethyl)-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is JTHFNINMLOQKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-2-3-10-8-11(16-15-10)13(19)17(5-6-18)9-12-14-4-7-20-12/h4,7-8,18H,2-3,5-6,9H2,1H3,(H,15,16).
What are the key properties of N-(2-hydroxyethyl)-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide?
N-(2-hydroxyethyl)-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 70769198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).