5-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide

C13H20N4O3S — CID 65375202

IUPAC5-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide
SMILESCC1CCCN(C(=O)c2n[nH]c(C3CC3)c2S(N)(=O)=O)C1
InChIInChI=1S/C13H20N4O3S/c1-8-3-2-6-17(7-8)13(18)11-12(21(14,19)20)10(15-16-11)9-4-5-9/h8-9H,2-7H2,1H3,(H,15,16)(H2,14,19,20)
InChIKeyBEDHRRZYVBDQKK-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.81
Rot. Bonds3

About 5-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide

5-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide (PubChem CID 65375202) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is 5-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide
PubChem CID65375202
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name5-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide
SMILESCC1CCCN(C(=O)c2n[nH]c(C3CC3)c2S(N)(=O)=O)C1
InChIInChI=1S/C13H20N4O3S/c1-8-3-2-6-17(7-8)13(18)11-12(21(14,19)20)10(15-16-11)9-4-5-9/h8-9H,2-7H2,1H3,(H,15,16)(H2,14,19,20)
InChIKeyBEDHRRZYVBDQKK-UHFFFAOYSA-N
XLogP0.81
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepane-1-carbonyl)-5-cyclopropyl-1H-pyrazole-4-sulfonamide
CID 65374240
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 62076034
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211742
3-(azocane-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 65374466
5-ethyl-3-(3-methoxypiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide
CID 102970876
ethyl (3R)-1-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate
CID 96538156
5-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65389215
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 62075958
5-cyclopropyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387338
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 55034216
N-cyclohexyl-5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65374364
5-cyclopropyl-N-(4-methoxybutan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65382003

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide (CID 65375202) is 5-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide is CC1CCCN(C(=O)c2n[nH]c(C3CC3)c2S(N)(=O)=O)C1.
What is the InChIKey of 5-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is BEDHRRZYVBDQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-8-3-2-6-17(7-8)13(18)11-12(21(14,19)20)10(15-16-11)9-4-5-9/h8-9H,2-7H2,1H3,(H,15,16)(H2,14,19,20).
What are the key properties of 5-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide?
5-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 312.40 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 65375202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).