N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-ethoxy-1H-pyrazole-5-carboxamide

C13H16N4O2S — CID 95749654

IUPACN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-ethoxy-1H-pyrazole-5-carboxamide
SMILESCCOc1cc(C(=O)NCc2csc(C3CC3)n2)[nH]n1
InChIInChI=1S/C13H16N4O2S/c1-2-19-11-5-10(16-17-11)12(18)14-6-9-7-20-13(15-9)8-3-4-8/h5,7-8H,2-4,6H2,1H3,(H,14,18)(H,16,17)
InChIKeyNEDXWNPOUHXATQ-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.07
Rot. Bonds6

About N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-ethoxy-1H-pyrazole-5-carboxamide

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-ethoxy-1H-pyrazole-5-carboxamide (PubChem CID 95749654) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-ethoxy-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-ethoxy-1H-pyrazole-5-carboxamide
PubChem CID95749654
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-ethoxy-1H-pyrazole-5-carboxamide
SMILESCCOc1cc(C(=O)NCc2csc(C3CC3)n2)[nH]n1
InChIInChI=1S/C13H16N4O2S/c1-2-19-11-5-10(16-17-11)12(18)14-6-9-7-20-13(15-9)8-3-4-8/h5,7-8H,2-4,6H2,1H3,(H,14,18)(H,16,17)
InChIKeyNEDXWNPOUHXATQ-UHFFFAOYSA-N
XLogP2.07
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide
CID 75358505
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 95749571
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(3,5-dimethylphenoxy)acetamide
CID 95324736
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281051
3,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
CID 95324619
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methylthiadiazole-5-carboxamide
CID 95749634
2,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
CID 95324628
3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64524858
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide
CID 95749522
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 95749640
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-methyl-2-(1,2,4-triazol-4-yl)benzamide
CID 146091331
2-(3-chlorophenyl)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110727994

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-ethoxy-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-ethoxy-1H-pyrazole-5-carboxamide (CID 95749654) is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-ethoxy-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-ethoxy-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-ethoxy-1H-pyrazole-5-carboxamide is CCOc1cc(C(=O)NCc2csc(C3CC3)n2)[nH]n1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-ethoxy-1H-pyrazole-5-carboxamide?
The InChIKey is NEDXWNPOUHXATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-2-19-11-5-10(16-17-11)12(18)14-6-9-7-20-13(15-9)8-3-4-8/h5,7-8H,2-4,6H2,1H3,(H,14,18)(H,16,17).
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-ethoxy-1H-pyrazole-5-carboxamide?
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-ethoxy-1H-pyrazole-5-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-ethoxy-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 95749654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).