2,2-difluoro-N-(1-methylsulfonylpyrazol-4-yl)-1-phenylcyclopropane-1-carboxamide

C14H13F2N3O3S — CID 154855312

IUPAC2,2-difluoro-N-(1-methylsulfonylpyrazol-4-yl)-1-phenylcyclopropane-1-carboxamide
SMILESCS(=O)(=O)n1cc(NC(=O)C2(c3ccccc3)CC2(F)F)cn1
InChIInChI=1S/C14H13F2N3O3S/c1-23(21,22)19-8-11(7-17-19)18-12(20)13(9-14(13,15)16)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,18,20)
InChIKeyLNTPAARAZCLCRY-UHFFFAOYSA-N
MW341.34 g/mol
LogP1.61
Rot. Bonds4

About 2,2-difluoro-N-(1-methylsulfonylpyrazol-4-yl)-1-phenylcyclopropane-1-carboxamide

2,2-difluoro-N-(1-methylsulfonylpyrazol-4-yl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 154855312) has the molecular formula C14H13F2N3O3S and a molecular weight of 341.34 g/mol. Its IUPAC name is 2,2-difluoro-N-(1-methylsulfonylpyrazol-4-yl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-(1-methylsulfonylpyrazol-4-yl)-1-phenylcyclopropane-1-carboxamide
PubChem CID154855312
Molecular FormulaC14H13F2N3O3S
Molecular Weight341.34 g/mol
Exact Mass341.06
IUPAC Name2,2-difluoro-N-(1-methylsulfonylpyrazol-4-yl)-1-phenylcyclopropane-1-carboxamide
SMILESCS(=O)(=O)n1cc(NC(=O)C2(c3ccccc3)CC2(F)F)cn1
InChIInChI=1S/C14H13F2N3O3S/c1-23(21,22)19-8-11(7-17-19)18-12(20)13(9-14(13,15)16)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,18,20)
InChIKeyLNTPAARAZCLCRY-UHFFFAOYSA-N
XLogP1.61
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-2,2-difluoro-1-phenylcyclopropane-1-carboxamide
CID 134595983
N-(1-methylsulfonylpyrazol-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 126827813
(1R)-N-(1-benzylpyrazol-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 7770311
3-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 126833913
(1R)-2,2-dichloro-N-(3,4-dichlorophenyl)-1-phenylcyclopropane-1-carboxamide
CID 7039241
(1S)-2,2-dichloro-N-(3,4-dichlorophenyl)-1-phenylcyclopropane-1-carboxamide
CID 7039242
ethane;N-(5-methyl-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 91229001
2,2-dichloro-1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 2832397
1-(1-bicyclo[2.1.1]hexanylmethyl)-N-(1-methylsulfonylpyrazol-4-yl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 171772184
N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 71260481
4-methoxy-N-(1-phenylpyrazol-4-yl)piperidine-4-carboxamide;hydrochloride
CID 119753029
2-[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696919

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1-methylsulfonylpyrazol-4-yl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-difluoro-N-(1-methylsulfonylpyrazol-4-yl)-1-phenylcyclopropane-1-carboxamide (CID 154855312) is 2,2-difluoro-N-(1-methylsulfonylpyrazol-4-yl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-N-(1-methylsulfonylpyrazol-4-yl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-N-(1-methylsulfonylpyrazol-4-yl)-1-phenylcyclopropane-1-carboxamide is CS(=O)(=O)n1cc(NC(=O)C2(c3ccccc3)CC2(F)F)cn1.
What is the InChIKey of 2,2-difluoro-N-(1-methylsulfonylpyrazol-4-yl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is LNTPAARAZCLCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O3S/c1-23(21,22)19-8-11(7-17-19)18-12(20)13(9-14(13,15)16)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,18,20).
What are the key properties of 2,2-difluoro-N-(1-methylsulfonylpyrazol-4-yl)-1-phenylcyclopropane-1-carboxamide?
2,2-difluoro-N-(1-methylsulfonylpyrazol-4-yl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(1-methylsulfonylpyrazol-4-yl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 154855312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).