N-[(4-cyanophenyl)methylsulfonyl]-3-(4-methylpyrazol-1-yl)propanamide

C15H16N4O3S — CID 60554487

IUPACN-[(4-cyanophenyl)methylsulfonyl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)c1
InChIInChI=1S/C15H16N4O3S/c1-12-9-17-19(10-12)7-6-15(20)18-23(21,22)11-14-4-2-13(8-16)3-5-14/h2-5,9-10H,6-7,11H2,1H3,(H,18,20)
InChIKeyXVLMGVGYHLDDRA-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.10
Rot. Bonds6

About N-[(4-cyanophenyl)methylsulfonyl]-3-(4-methylpyrazol-1-yl)propanamide

N-[(4-cyanophenyl)methylsulfonyl]-3-(4-methylpyrazol-1-yl)propanamide (PubChem CID 60554487) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methylsulfonyl]-3-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methylsulfonyl]-3-(4-methylpyrazol-1-yl)propanamide
PubChem CID60554487
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC NameN-[(4-cyanophenyl)methylsulfonyl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)c1
InChIInChI=1S/C15H16N4O3S/c1-12-9-17-19(10-12)7-6-15(20)18-23(21,22)11-14-4-2-13(8-16)3-5-14/h2-5,9-10H,6-7,11H2,1H3,(H,18,20)
InChIKeyXVLMGVGYHLDDRA-UHFFFAOYSA-N
XLogP1.10
TPSA104.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methylsulfonyl]-3-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(4-cyanophenyl)methylsulfonyl]-3-(4-methylpyrazol-1-yl)propanamide (CID 60554487) is N-[(4-cyanophenyl)methylsulfonyl]-3-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(4-cyanophenyl)methylsulfonyl]-3-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(4-cyanophenyl)methylsulfonyl]-3-(4-methylpyrazol-1-yl)propanamide is Cc1cnn(CCC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)c1.
What is the InChIKey of N-[(4-cyanophenyl)methylsulfonyl]-3-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is XVLMGVGYHLDDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-12-9-17-19(10-12)7-6-15(20)18-23(21,22)11-14-4-2-13(8-16)3-5-14/h2-5,9-10H,6-7,11H2,1H3,(H,18,20).
What are the key properties of N-[(4-cyanophenyl)methylsulfonyl]-3-(4-methylpyrazol-1-yl)propanamide?
N-[(4-cyanophenyl)methylsulfonyl]-3-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 332.39 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methylsulfonyl]-3-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 60554487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).