N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide

C10H17N3OS — CID 127026695

IUPACN-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCCCCCCS)c1ccn[nH]1
InChIInChI=1S/C10H17N3OS/c14-10(9-5-7-12-13-9)11-6-3-1-2-4-8-15/h5,7,15H,1-4,6,8H2,(H,11,14)(H,12,13)
InChIKeyOJQALHBLSWWPHJ-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.63
Rot. Bonds7

About N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide

N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide (PubChem CID 127026695) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide
PubChem CID127026695
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCCCCCCS)c1ccn[nH]1
InChIInChI=1S/C10H17N3OS/c14-10(9-5-7-12-13-9)11-6-3-1-2-4-8-15/h5,7,15H,1-4,6,8H2,(H,11,14)(H,12,13)
InChIKeyOJQALHBLSWWPHJ-UHFFFAOYSA-N
XLogP1.63
TPSA57.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-(6-sulfanylhexyl)-1H-pyrazole-3-carboxamide
CID 127027020
n-Methyl-1h-pyrazole-3-carboxamide
CID 19704574
N-(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 53017380
1H-Pyrazole-3-carboxamide, N-(2-hydroxyethyl)-
CID 2061007
N~3~-isobutyl-1H-pyrazole-3-carboxamide
CID 53017403
N-{rel-(3R,4S)-1-[2-(methylsulfonyl)ethyl]-4-propyl-3-pyrrolidinyl}-1H-pyrazole-3-carboxamide hydrochloride
CID 72925354
N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 580065
N-tert-Butyl-1H-pyrazole-5-carboxamide
CID 23279698
Ethane-1,2-diamine, N,N'-bis(3-pyrazolylcarbonyl)-
CID 565685
N-(4,4-difluorocyclohexyl)-1H-pyrazole-5-carboxamide
CID 121021903
N-(2-aminoethyl)-1H-pyrazole-5-carboxamide hydrochloride
CID 71758320
4-(1H-pyrazole-5-carbonylamino)butanoic acid
CID 43355123

Frequently Asked Questions

What is the IUPAC name of N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide (CID 127026695) is N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide is O=C(NCCCCCCS)c1ccn[nH]1.
What is the InChIKey of N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide?
The InChIKey is OJQALHBLSWWPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c14-10(9-5-7-12-13-9)11-6-3-1-2-4-8-15/h5,7,15H,1-4,6,8H2,(H,11,14)(H,12,13).
What are the key properties of N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide?
N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide has a molecular weight of 227.33 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 127026695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).