3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide

C12H20N4O3S — CID 43629005

IUPAC3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H20N4O3S/c1-8-11(9(2)15-14-8)12(17)13-10-4-6-16(7-5-10)20(3,18)19/h10H,4-7H2,1-3H3,(H,13,17)(H,14,15)
InChIKeySHPHCJUGKOLBGQ-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.18
Rot. Bonds3

About 3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide (PubChem CID 43629005) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
PubChem CID43629005
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H20N4O3S/c1-8-11(9(2)15-14-8)12(17)13-10-4-6-16(7-5-10)20(3,18)19/h10H,4-7H2,1-3H3,(H,13,17)(H,14,15)
InChIKeySHPHCJUGKOLBGQ-UHFFFAOYSA-N
XLogP0.18
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide (CID 43629005) is 3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is SHPHCJUGKOLBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-8-11(9(2)15-14-8)12(17)13-10-4-6-16(7-5-10)20(3,18)19/h10H,4-7H2,1-3H3,(H,13,17)(H,14,15).
What are the key properties of 3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43629005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).