N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-(methanesulfonamido)propanamide

C14H17ClN4O3S — CID 91797066

IUPACN-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-(methanesulfonamido)propanamide
SMILESCC(NS(C)(=O)=O)C(=O)NCc1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN4O3S/c1-9(19-23(2,21)22)14(20)16-7-11-8-17-18-13(11)10-3-5-12(15)6-4-10/h3-6,8-9,19H,7H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyPUPHHDXEHYYGLD-UHFFFAOYSA-N
MW356.84 g/mol
LogP1.28
Rot. Bonds6

About N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-(methanesulfonamido)propanamide

N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-(methanesulfonamido)propanamide (PubChem CID 91797066) has the molecular formula C14H17ClN4O3S and a molecular weight of 356.84 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-(methanesulfonamido)propanamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-(methanesulfonamido)propanamide
PubChem CID91797066
Molecular FormulaC14H17ClN4O3S
Molecular Weight356.84 g/mol
Exact Mass356.07
IUPAC NameN-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-(methanesulfonamido)propanamide
SMILESCC(NS(C)(=O)=O)C(=O)NCc1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN4O3S/c1-9(19-23(2,21)22)14(20)16-7-11-8-17-18-13(11)10-3-5-12(15)6-4-10/h3-6,8-9,19H,7H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyPUPHHDXEHYYGLD-UHFFFAOYSA-N
XLogP1.28
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-(methanesulfonamido)propanamide?
The IUPAC name of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-(methanesulfonamido)propanamide (CID 91797066) is N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-(methanesulfonamido)propanamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-(methanesulfonamido)propanamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-(methanesulfonamido)propanamide is CC(NS(C)(=O)=O)C(=O)NCc1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-(methanesulfonamido)propanamide?
The InChIKey is PUPHHDXEHYYGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3S/c1-9(19-23(2,21)22)14(20)16-7-11-8-17-18-13(11)10-3-5-12(15)6-4-10/h3-6,8-9,19H,7H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-(methanesulfonamido)propanamide?
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-(methanesulfonamido)propanamide has a molecular weight of 356.84 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-(methanesulfonamido)propanamide is sourced from PubChem (CID 91797066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).