N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide

C7H11N3O3S — CID 60920389

IUPACN-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1cn[nH]c1
InChIInChI=1S/C7H11N3O3S/c1-14(12,13)3-2-8-7(11)6-4-9-10-5-6/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10)
InChIKeyNWJAMSSLYILXBT-UHFFFAOYSA-N
MW217.25 g/mol
LogP-0.82
Rot. Bonds4

About N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide

N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide (PubChem CID 60920389) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide
PubChem CID60920389
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC NameN-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1cn[nH]c1
InChIInChI=1S/C7H11N3O3S/c1-14(12,13)3-2-8-7(11)6-4-9-10-5-6/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10)
InChIKeyNWJAMSSLYILXBT-UHFFFAOYSA-N
XLogP-0.82
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1H-pyrazole-4-carboxamide
CID 43582334
1-ethyl-N-[2-(ethylsulfonyl)ethyl]-1H-pyrazole-4-carboxamide
CID 74243028
N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide
CID 103621099
N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
N-butyl-1H-pyrazole-4-carboxamide
CID 43532896
N-propyl-1H-pyrazole-4-carboxamide
CID 43582291
N-(2-methylpropyl)-1H-pyrazole-4-carboxamide
CID 43582322
N-(1-sulfanylethyl)-1H-pyrazole-4-carboxamide
CID 155257944
N-butyl-1H-pyrazole-4-carboxamide;propane
CID 157278676
ethane-1,2-disulfonic acid;1H-pyrazole-4-carboxamide
CID 174941525
N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide
CID 43533019
4-methylsulfonyl-2-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 43565621

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide (CID 60920389) is N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide is CS(=O)(=O)CCNC(=O)c1cn[nH]c1.
What is the InChIKey of N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is NWJAMSSLYILXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S/c1-14(12,13)3-2-8-7(11)6-4-9-10-5-6/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10).
What are the key properties of N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide?
N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 217.25 g/mol, XLogP of -0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60920389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).