N-[4-(2-methylsulfonyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide

C17H18N4O3S — CID 42956571

IUPACN-[4-(2-methylsulfonyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NN(S(C)(=O)=O)C(c3cccnc3)C2)cc1
InChIInChI=1S/C17H18N4O3S/c1-12(22)19-15-7-5-13(6-8-15)16-10-17(14-4-3-9-18-11-14)21(20-16)25(2,23)24/h3-9,11,17H,10H2,1-2H3,(H,19,22)
InChIKeyDFXVJZVSTHDLMF-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.15
Rot. Bonds4

About N-[4-(2-methylsulfonyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide

N-[4-(2-methylsulfonyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide (PubChem CID 42956571) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[4-(2-methylsulfonyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-methylsulfonyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide
PubChem CID42956571
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-[4-(2-methylsulfonyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NN(S(C)(=O)=O)C(c3cccnc3)C2)cc1
InChIInChI=1S/C17H18N4O3S/c1-12(22)19-15-7-5-13(6-8-15)16-10-17(14-4-3-9-18-11-14)21(20-16)25(2,23)24/h3-9,11,17H,10H2,1-2H3,(H,19,22)
InChIKeyDFXVJZVSTHDLMF-UHFFFAOYSA-N
XLogP2.15
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3S)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 40819624
2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole
CID 2953116
N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 659759
N-[4-[(3R)-3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 7081210
N-[4-[3-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 71848048
N-[4-[2-(benzenesulfonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 42956565
N-[4-[(3S)-3-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 41049263
3,5-bis(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 122155650
N-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide
CID 40539104
N-[4-[(3R)-3-(1,3-benzodioxol-5-yl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 1093229
(3S)-5-(4-methoxyphenyl)-3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 703928
6-[(3R)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 1417686

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylsulfonyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide?
The IUPAC name of N-[4-(2-methylsulfonyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide (CID 42956571) is N-[4-(2-methylsulfonyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-methylsulfonyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-methylsulfonyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide is CC(=O)Nc1ccc(C2=NN(S(C)(=O)=O)C(c3cccnc3)C2)cc1.
What is the InChIKey of N-[4-(2-methylsulfonyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide?
The InChIKey is DFXVJZVSTHDLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-12(22)19-15-7-5-13(6-8-15)16-10-17(14-4-3-9-18-11-14)21(20-16)25(2,23)24/h3-9,11,17H,10H2,1-2H3,(H,19,22).
What are the key properties of N-[4-(2-methylsulfonyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide?
N-[4-(2-methylsulfonyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide has a molecular weight of 358.42 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylsulfonyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 42956571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).