N-cyclohexyl-N-(2-ethylsulfanylethyl)-1H-pyrazole-5-carboxamide

C14H23N3OS — CID 50951708

IUPACN-cyclohexyl-N-(2-ethylsulfanylethyl)-1H-pyrazole-5-carboxamide
SMILESCCSCCN(C(=O)c1ccn[nH]1)C1CCCCC1
InChIInChI=1S/C14H23N3OS/c1-2-19-11-10-17(12-6-4-3-5-7-12)14(18)13-8-9-15-16-13/h8-9,12H,2-7,10-11H2,1H3,(H,15,16)
InChIKeyFHXLSQDWQCHGOF-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.94
Rot. Bonds6

About N-cyclohexyl-N-(2-ethylsulfanylethyl)-1H-pyrazole-5-carboxamide

N-cyclohexyl-N-(2-ethylsulfanylethyl)-1H-pyrazole-5-carboxamide (PubChem CID 50951708) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-cyclohexyl-N-(2-ethylsulfanylethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2-ethylsulfanylethyl)-1H-pyrazole-5-carboxamide
PubChem CID50951708
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-cyclohexyl-N-(2-ethylsulfanylethyl)-1H-pyrazole-5-carboxamide
SMILESCCSCCN(C(=O)c1ccn[nH]1)C1CCCCC1
InChIInChI=1S/C14H23N3OS/c1-2-19-11-10-17(12-6-4-3-5-7-12)14(18)13-8-9-15-16-13/h8-9,12H,2-7,10-11H2,1H3,(H,15,16)
InChIKeyFHXLSQDWQCHGOF-UHFFFAOYSA-N
XLogP2.94
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide
CID 127026695
N-(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 53017380
(4aR*,7aS*)-1-propyl-4-(1H-pyrazol-3-ylcarbonyl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70735823
N-{rel-(3R,4S)-1-[2-(methylsulfonyl)ethyl]-4-propyl-3-pyrrolidinyl}-1H-pyrazole-3-carboxamide hydrochloride
CID 72925354
1H-Pyrazole-3-carboxylic acid (methyl)(1,2,2,6,6-pentamethylpiperidin-4-yl)amide
CID 672567
N-(4,4-difluorocyclohexyl)-1H-pyrazole-5-carboxamide
CID 121021903
N,N-diethyl-1H-pyrazole-3-carboxamide
CID 5128709
N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide
CID 47342569
N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-5-carboxamide
CID 53524109
N-(2,2-dimethylpropyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide
CID 71849508
2-methyl-N-[2-(1H-pyrazole-5-carbonylamino)ethyl]piperidine-1-carboxamide
CID 86785517
N-ethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 121523792

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2-ethylsulfanylethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-N-(2-ethylsulfanylethyl)-1H-pyrazole-5-carboxamide (CID 50951708) is N-cyclohexyl-N-(2-ethylsulfanylethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-(2-ethylsulfanylethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-N-(2-ethylsulfanylethyl)-1H-pyrazole-5-carboxamide is CCSCCN(C(=O)c1ccn[nH]1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(2-ethylsulfanylethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is FHXLSQDWQCHGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-2-19-11-10-17(12-6-4-3-5-7-12)14(18)13-8-9-15-16-13/h8-9,12H,2-7,10-11H2,1H3,(H,15,16).
What are the key properties of N-cyclohexyl-N-(2-ethylsulfanylethyl)-1H-pyrazole-5-carboxamide?
N-cyclohexyl-N-(2-ethylsulfanylethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 281.42 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2-ethylsulfanylethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 50951708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).