1-(2,2-difluorocyclopropyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-methylpropyl)pyrazole-3-sulfonamide

C17H28F2N4O2S — CID 154854993

IUPAC1-(2,2-difluorocyclopropyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-methylpropyl)pyrazole-3-sulfonamide
SMILESCC(C)CN(CC1CCN(C)CC1)S(=O)(=O)c1ccn(C2CC2(F)F)n1
InChIInChI=1S/C17H28F2N4O2S/c1-13(2)11-22(12-14-4-7-21(3)8-5-14)26(24,25)16-6-9-23(20-16)15-10-17(15,18)19/h6,9,13-15H,4-5,7-8,10-12H2,1-3H3
InChIKeyNNSMLQHRCBBUQD-UHFFFAOYSA-N
MW390.50 g/mol
LogP2.45
Rot. Bonds7

About 1-(2,2-difluorocyclopropyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-methylpropyl)pyrazole-3-sulfonamide

1-(2,2-difluorocyclopropyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-methylpropyl)pyrazole-3-sulfonamide (PubChem CID 154854993) has the molecular formula C17H28F2N4O2S and a molecular weight of 390.50 g/mol. Its IUPAC name is 1-(2,2-difluorocyclopropyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-methylpropyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name1-(2,2-difluorocyclopropyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-methylpropyl)pyrazole-3-sulfonamide
PubChem CID154854993
Molecular FormulaC17H28F2N4O2S
Molecular Weight390.50 g/mol
Exact Mass390.19
IUPAC Name1-(2,2-difluorocyclopropyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-methylpropyl)pyrazole-3-sulfonamide
SMILESCC(C)CN(CC1CCN(C)CC1)S(=O)(=O)c1ccn(C2CC2(F)F)n1
InChIInChI=1S/C17H28F2N4O2S/c1-13(2)11-22(12-14-4-7-21(3)8-5-14)26(24,25)16-6-9-23(20-16)15-10-17(15,18)19/h6,9,13-15H,4-5,7-8,10-12H2,1-3H3
InChIKeyNNSMLQHRCBBUQD-UHFFFAOYSA-N
XLogP2.45
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorocyclopropyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-methylpropyl)pyrazole-3-sulfonamide?
The IUPAC name of 1-(2,2-difluorocyclopropyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-methylpropyl)pyrazole-3-sulfonamide (CID 154854993) is 1-(2,2-difluorocyclopropyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-methylpropyl)pyrazole-3-sulfonamide.
What is the SMILES notation for 1-(2,2-difluorocyclopropyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-methylpropyl)pyrazole-3-sulfonamide?
The canonical SMILES for 1-(2,2-difluorocyclopropyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-methylpropyl)pyrazole-3-sulfonamide is CC(C)CN(CC1CCN(C)CC1)S(=O)(=O)c1ccn(C2CC2(F)F)n1.
What is the InChIKey of 1-(2,2-difluorocyclopropyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-methylpropyl)pyrazole-3-sulfonamide?
The InChIKey is NNSMLQHRCBBUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F2N4O2S/c1-13(2)11-22(12-14-4-7-21(3)8-5-14)26(24,25)16-6-9-23(20-16)15-10-17(15,18)19/h6,9,13-15H,4-5,7-8,10-12H2,1-3H3.
What are the key properties of 1-(2,2-difluorocyclopropyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-methylpropyl)pyrazole-3-sulfonamide?
1-(2,2-difluorocyclopropyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-methylpropyl)pyrazole-3-sulfonamide has a molecular weight of 390.50 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorocyclopropyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-methylpropyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 154854993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).