N-heptan-2-yl-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide

C12H22N4O3S — CID 65387069

IUPACN-heptan-2-yl-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCCCCC(C)NC(=O)c1n[nH]c(C)c1S(N)(=O)=O
InChIInChI=1S/C12H22N4O3S/c1-4-5-6-7-8(2)14-12(17)10-11(20(13,18)19)9(3)15-16-10/h8H,4-7H2,1-3H3,(H,14,17)(H,15,16)(H2,13,18,19)
InChIKeyHBYFYOURYUYFRC-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.06
Rot. Bonds7

About N-heptan-2-yl-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide

N-heptan-2-yl-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide (PubChem CID 65387069) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-heptan-2-yl-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-heptan-2-yl-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
PubChem CID65387069
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC NameN-heptan-2-yl-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCCCCC(C)NC(=O)c1n[nH]c(C)c1S(N)(=O)=O
InChIInChI=1S/C12H22N4O3S/c1-4-5-6-7-8(2)14-12(17)10-11(20(13,18)19)9(3)15-16-10/h8H,4-7H2,1-3H3,(H,14,17)(H,15,16)(H2,13,18,19)
InChIKeyHBYFYOURYUYFRC-UHFFFAOYSA-N
XLogP1.06
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hexan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388449
5-methyl-N-(2-methylpentan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388989
5-methyl-N-(4-methylpentyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386939
5-methyl-N-(2-methylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387504
N-butan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373238
4-amino-5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide
CID 62082646
4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 94344980
5-methyl-N-(2-methylsulfinylpropyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 113484535
5-ethyl-N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387211
N-butyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373634
butan-2-yl 5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65382029
N-(1-cyclopropylpropan-2-yl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388879

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-heptan-2-yl-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide (CID 65387069) is N-heptan-2-yl-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-heptan-2-yl-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-heptan-2-yl-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide is CCCCCC(C)NC(=O)c1n[nH]c(C)c1S(N)(=O)=O.
What is the InChIKey of N-heptan-2-yl-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The InChIKey is HBYFYOURYUYFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-4-5-6-7-8(2)14-12(17)10-11(20(13,18)19)9(3)15-16-10/h8H,4-7H2,1-3H3,(H,14,17)(H,15,16)(H2,13,18,19).
What are the key properties of N-heptan-2-yl-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
N-heptan-2-yl-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65387069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).