N-cyclopropyl-4-methyl-3-[1-(5-methylsulfonyl-3-pyridinyl)pyrazol-4-yl]benzamide

C20H20N4O3S — CID 134325492

IUPACN-cyclopropyl-4-methyl-3-[1-(5-methylsulfonyl-3-pyridinyl)pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C20H20N4O3S/c1-13-3-4-14(20(25)23-16-5-6-16)7-19(13)15-9-22-24(12-15)17-8-18(11-21-10-17)28(2,26)27/h3-4,7-12,16H,5-6H2,1-2H3,(H,23,25)
InChIKeyHFSJBMWREOCFNG-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.54
Rot. Bonds5

About N-cyclopropyl-4-methyl-3-[1-(5-methylsulfonyl-3-pyridinyl)pyrazol-4-yl]benzamide

N-cyclopropyl-4-methyl-3-[1-(5-methylsulfonyl-3-pyridinyl)pyrazol-4-yl]benzamide (PubChem CID 134325492) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-(5-methylsulfonyl-3-pyridinyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-(5-methylsulfonyl-3-pyridinyl)pyrazol-4-yl]benzamide
PubChem CID134325492
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-cyclopropyl-4-methyl-3-[1-(5-methylsulfonyl-3-pyridinyl)pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C20H20N4O3S/c1-13-3-4-14(20(25)23-16-5-6-16)7-19(13)15-9-22-24(12-15)17-8-18(11-21-10-17)28(2,26)27/h3-4,7-12,16H,5-6H2,1-2H3,(H,23,25)
InChIKeyHFSJBMWREOCFNG-UHFFFAOYSA-N
XLogP2.54
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

trans-(1S,2S)-N-[4-(1-propylpyrazol-4-yl)sulfonylphenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 76072411
N-[1-(3,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52934736
4-[[[3-(1-methylpyrazol-3-yl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70654733
trans-(1S,2S)-N-[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 76071764
2-fluoro-5-(1-methyl-1H-pyrazol-3-yl)-N-(6-((2-(methylsulfonyl)acetamido)methyl)-2-phenylpyridin-3-yl)-4-(trifluoromethyl)benzamide
CID 118393566
US10138222, Example 105
CID 134325382
trans-(1R,2R)-N-[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 73890932
trans-(1R,2R)-N-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 76311093
trans-(1R,2R)-N-[4-(1-propylpyrazol-4-yl)sulfonylphenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 76321979
trans-(1R,2R)-N-[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 76329161
trans-(1R,2R)-N-[4-(1-ethylpyrazol-4-yl)sulfonylphenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 76336445
3-(trans-2-((1,1-dioxidotetrahydro-2H-thiopyran-4-yl)amino)cyclopropyl)-N-(1-(4-fluorophenyl)-1H-pyrazol-4-yl)benzamide dihydrochloride
CID 118305156

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[1-(5-methylsulfonyl-3-pyridinyl)pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-(5-methylsulfonyl-3-pyridinyl)pyrazol-4-yl]benzamide (CID 134325492) is N-cyclopropyl-4-methyl-3-[1-(5-methylsulfonyl-3-pyridinyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-(5-methylsulfonyl-3-pyridinyl)pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-(5-methylsulfonyl-3-pyridinyl)pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(S(C)(=O)=O)c2)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-(5-methylsulfonyl-3-pyridinyl)pyrazol-4-yl]benzamide?
The InChIKey is HFSJBMWREOCFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-13-3-4-14(20(25)23-16-5-6-16)7-19(13)15-9-22-24(12-15)17-8-18(11-21-10-17)28(2,26)27/h3-4,7-12,16H,5-6H2,1-2H3,(H,23,25).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-(5-methylsulfonyl-3-pyridinyl)pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-(5-methylsulfonyl-3-pyridinyl)pyrazol-4-yl]benzamide has a molecular weight of 396.47 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[1-(5-methylsulfonyl-3-pyridinyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 134325492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).