N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide

C17H25N5O4S — CID 8561962

IUPACN-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)N[C@@](C)(C#N)C2CC2)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H25N5O4S/c1-12-16(27(24,25)21-6-8-26-9-7-21)13(2)22(20-12)10-15(23)19-17(3,11-18)14-4-5-14/h14H,4-10H2,1-3H3,(H,19,23)/t17-/m0/s1
InChIKeyHGZZDIJDBWTVEY-KRWDZBQOSA-N
MW395.49 g/mol
LogP0.33
Rot. Bonds6

About N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide (PubChem CID 8561962) has the molecular formula C17H25N5O4S and a molecular weight of 395.49 g/mol. Its IUPAC name is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide
PubChem CID8561962
Molecular FormulaC17H25N5O4S
Molecular Weight395.49 g/mol
Exact Mass395.16
IUPAC NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)N[C@@](C)(C#N)C2CC2)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H25N5O4S/c1-12-16(27(24,25)21-6-8-26-9-7-21)13(2)22(20-12)10-15(23)19-17(3,11-18)14-4-5-14/h14H,4-10H2,1-3H3,(H,19,23)/t17-/m0/s1
InChIKeyHGZZDIJDBWTVEY-KRWDZBQOSA-N
XLogP0.33
TPSA117.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide (CID 8561962) is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide is Cc1nn(CC(=O)N[C@@](C)(C#N)C2CC2)c(C)c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide?
The InChIKey is HGZZDIJDBWTVEY-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H25N5O4S/c1-12-16(27(24,25)21-6-8-26-9-7-21)13(2)22(20-12)10-15(23)19-17(3,11-18)14-4-5-14/h14H,4-10H2,1-3H3,(H,19,23)/t17-/m0/s1.
What are the key properties of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide?
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide has a molecular weight of 395.49 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide is sourced from PubChem (CID 8561962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).