N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide

C13H22N4O4S — CID 70725017

IUPACN-[(4-methylsulfonylmorpholin-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)NCC2CN(S(C)(=O)=O)CCO2)cn1
InChIInChI=1S/C13H22N4O4S/c1-10(2)17-8-11(6-15-17)13(18)14-7-12-9-16(4-5-21-12)22(3,19)20/h6,8,10,12H,4-5,7,9H2,1-3H3,(H,14,18)
InChIKeyYVGHHVJQVBQKED-UHFFFAOYSA-N
MW330.41 g/mol
LogP-0.15
Rot. Bonds5

About N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide

N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 70725017) has the molecular formula C13H22N4O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylsulfonylmorpholin-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID70725017
Molecular FormulaC13H22N4O4S
Molecular Weight330.41 g/mol
Exact Mass330.14
IUPAC NameN-[(4-methylsulfonylmorpholin-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)NCC2CN(S(C)(=O)=O)CCO2)cn1
InChIInChI=1S/C13H22N4O4S/c1-10(2)17-8-11(6-15-17)13(18)14-7-12-9-16(4-5-21-12)22(3,19)20/h6,8,10,12H,4-5,7,9H2,1-3H3,(H,14,18)
InChIKeyYVGHHVJQVBQKED-UHFFFAOYSA-N
XLogP-0.15
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 70725017) is N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1cc(C(=O)NCC2CN(S(C)(=O)=O)CCO2)cn1.
What is the InChIKey of N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is YVGHHVJQVBQKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4S/c1-10(2)17-8-11(6-15-17)13(18)14-7-12-9-16(4-5-21-12)22(3,19)20/h6,8,10,12H,4-5,7,9H2,1-3H3,(H,14,18).
What are the key properties of N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 330.41 g/mol, XLogP of -0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 70725017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).