N-(1-ethylsulfanylpropan-2-yl)-1H-pyrazole-4-carboxamide

C9H15N3OS — CID 115662264

IUPACN-(1-ethylsulfanylpropan-2-yl)-1H-pyrazole-4-carboxamide
SMILESCCSCC(C)NC(=O)c1cn[nH]c1
InChIInChI=1S/C9H15N3OS/c1-3-14-6-7(2)12-9(13)8-4-10-11-5-8/h4-5,7H,3,6H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyIZABCZQTCLEOAG-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.28
Rot. Bonds5

About N-(1-ethylsulfanylpropan-2-yl)-1H-pyrazole-4-carboxamide

N-(1-ethylsulfanylpropan-2-yl)-1H-pyrazole-4-carboxamide (PubChem CID 115662264) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-(1-ethylsulfanylpropan-2-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylsulfanylpropan-2-yl)-1H-pyrazole-4-carboxamide
PubChem CID115662264
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-(1-ethylsulfanylpropan-2-yl)-1H-pyrazole-4-carboxamide
SMILESCCSCC(C)NC(=O)c1cn[nH]c1
InChIInChI=1S/C9H15N3OS/c1-3-14-6-7(2)12-9(13)8-4-10-11-5-8/h4-5,7H,3,6H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyIZABCZQTCLEOAG-UHFFFAOYSA-N
XLogP1.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
N-(1-ethylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115749162
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide
CID 79252748
4-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
CID 115662215
2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylpyridine-4-carboxamide
CID 113499345
N-[(1S)-1-cyanopropyl]-1H-pyrazole-4-carboxamide
CID 130661028
N-methyl-1H-pyrazole-4-carboxamide;propane
CID 155700970
N-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrazole-4-carboxamide
CID 61245282
N-(1-ethylsulfanylpropan-2-yl)-6-methyl-2-(methylamino)pyrimidine-4-carboxamide
CID 114220455
N-(2-ethoxypropyl)-1H-pyrazole-4-carboxamide
CID 115649315
N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 99942965
N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-4-carboxamide
CID 61259747

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-1H-pyrazole-4-carboxamide (CID 115662264) is N-(1-ethylsulfanylpropan-2-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-ethylsulfanylpropan-2-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1-ethylsulfanylpropan-2-yl)-1H-pyrazole-4-carboxamide is CCSCC(C)NC(=O)c1cn[nH]c1.
What is the InChIKey of N-(1-ethylsulfanylpropan-2-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is IZABCZQTCLEOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-14-6-7(2)12-9(13)8-4-10-11-5-8/h4-5,7H,3,6H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of N-(1-ethylsulfanylpropan-2-yl)-1H-pyrazole-4-carboxamide?
N-(1-ethylsulfanylpropan-2-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 213.31 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanylpropan-2-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 115662264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).