N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-(methanesulfonamido)propanamide

C14H17FN4O3S — CID 122150829

IUPACN-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-(methanesulfonamido)propanamide
SMILESCc1ccc(F)c(-c2cc(NC(=O)C(C)NS(C)(=O)=O)n[nH]2)c1
InChIInChI=1S/C14H17FN4O3S/c1-8-4-5-11(15)10(6-8)12-7-13(18-17-12)16-14(20)9(2)19-23(3,21)22/h4-7,9,19H,1-3H3,(H2,16,17,18,20)
InChIKeyFPWRQWPSDIFHHD-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.40
Rot. Bonds5

About N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-(methanesulfonamido)propanamide

N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-(methanesulfonamido)propanamide (PubChem CID 122150829) has the molecular formula C14H17FN4O3S and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-(methanesulfonamido)propanamide.

Molecular Properties

Compound NameN-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-(methanesulfonamido)propanamide
PubChem CID122150829
Molecular FormulaC14H17FN4O3S
Molecular Weight340.38 g/mol
Exact Mass340.10
IUPAC NameN-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-(methanesulfonamido)propanamide
SMILESCc1ccc(F)c(-c2cc(NC(=O)C(C)NS(C)(=O)=O)n[nH]2)c1
InChIInChI=1S/C14H17FN4O3S/c1-8-4-5-11(15)10(6-8)12-7-13(18-17-12)16-14(20)9(2)19-23(3,21)22/h4-7,9,19H,1-3H3,(H2,16,17,18,20)
InChIKeyFPWRQWPSDIFHHD-UHFFFAOYSA-N
XLogP1.40
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-(methanesulfonamido)propanamide?
The IUPAC name of N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-(methanesulfonamido)propanamide (CID 122150829) is N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-(methanesulfonamido)propanamide.
What is the SMILES notation for N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-(methanesulfonamido)propanamide?
The canonical SMILES for N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-(methanesulfonamido)propanamide is Cc1ccc(F)c(-c2cc(NC(=O)C(C)NS(C)(=O)=O)n[nH]2)c1.
What is the InChIKey of N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-(methanesulfonamido)propanamide?
The InChIKey is FPWRQWPSDIFHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O3S/c1-8-4-5-11(15)10(6-8)12-7-13(18-17-12)16-14(20)9(2)19-23(3,21)22/h4-7,9,19H,1-3H3,(H2,16,17,18,20).
What are the key properties of N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-(methanesulfonamido)propanamide?
N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-(methanesulfonamido)propanamide has a molecular weight of 340.38 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-(methanesulfonamido)propanamide is sourced from PubChem (CID 122150829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).