4-[[2-(difluoromethoxy)benzoyl]amino]-N-[1-[methyl(methylsulfonyl)amino]pentan-3-yl]-1H-pyrazole-5-carboxamide

C19H25F2N5O5S — CID 71046767

IUPAC4-[[2-(difluoromethoxy)benzoyl]amino]-N-[1-[methyl(methylsulfonyl)amino]pentan-3-yl]-1H-pyrazole-5-carboxamide
SMILESCCC(CCN(C)S(C)(=O)=O)NC(=O)c1[nH]ncc1NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C19H25F2N5O5S/c1-4-12(9-10-26(2)32(3,29)30)23-18(28)16-14(11-22-25-16)24-17(27)13-7-5-6-8-15(13)31-19(20)21/h5-8,11-12,19H,4,9-10H2,1-3H3,(H,22,25)(H,23,28)(H,24,27)
InChIKeyLLXCXCMXFGSOGF-UHFFFAOYSA-N
MW473.50 g/mol
LogP2.05
Rot. Bonds11

About 4-[[2-(difluoromethoxy)benzoyl]amino]-N-[1-[methyl(methylsulfonyl)amino]pentan-3-yl]-1H-pyrazole-5-carboxamide

4-[[2-(difluoromethoxy)benzoyl]amino]-N-[1-[methyl(methylsulfonyl)amino]pentan-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 71046767) has the molecular formula C19H25F2N5O5S and a molecular weight of 473.50 g/mol. Its IUPAC name is 4-[[2-(difluoromethoxy)benzoyl]amino]-N-[1-[methyl(methylsulfonyl)amino]pentan-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[2-(difluoromethoxy)benzoyl]amino]-N-[1-[methyl(methylsulfonyl)amino]pentan-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID71046767
Molecular FormulaC19H25F2N5O5S
Molecular Weight473.50 g/mol
Exact Mass473.15
IUPAC Name4-[[2-(difluoromethoxy)benzoyl]amino]-N-[1-[methyl(methylsulfonyl)amino]pentan-3-yl]-1H-pyrazole-5-carboxamide
SMILESCCC(CCN(C)S(C)(=O)=O)NC(=O)c1[nH]ncc1NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C19H25F2N5O5S/c1-4-12(9-10-26(2)32(3,29)30)23-18(28)16-14(11-22-25-16)24-17(27)13-7-5-6-8-15(13)31-19(20)21/h5-8,11-12,19H,4,9-10H2,1-3H3,(H,22,25)(H,23,28)(H,24,27)
InChIKeyLLXCXCMXFGSOGF-UHFFFAOYSA-N
XLogP2.05
TPSA133.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(difluoromethoxy)-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 104620278
2-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
CID 25346203
4-[(2,4-difluorobenzoyl)amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
CID 69378981
2-(difluoromethoxy)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65309961
2-(difluoromethoxy)-N-(1H-pyrazol-4-yl)benzamide
CID 43429728
N-[2-(difluoromethoxy)phenyl]-2-ethoxybenzamide
CID 17394090
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
4-[[2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341835
(Z)-3-[2-(difluoromethoxy)phenyl]-N-(1-hydroxypentan-3-yl)but-2-enamide
CID 109478866
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[(4S)-1-hydroxyheptan-4-yl]-1H-pyrazole-5-carboxamide
CID 118297463
N-cyclohexyl-4-[(2-ethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;methanol
CID 143263304
4-[(4-chlorobenzoyl)amino]-N-[6-(methylamino)hexan-3-yl]-1H-pyrazole-5-carboxamide
CID 143263527

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(difluoromethoxy)benzoyl]amino]-N-[1-[methyl(methylsulfonyl)amino]pentan-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[[2-(difluoromethoxy)benzoyl]amino]-N-[1-[methyl(methylsulfonyl)amino]pentan-3-yl]-1H-pyrazole-5-carboxamide (CID 71046767) is 4-[[2-(difluoromethoxy)benzoyl]amino]-N-[1-[methyl(methylsulfonyl)amino]pentan-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[[2-(difluoromethoxy)benzoyl]amino]-N-[1-[methyl(methylsulfonyl)amino]pentan-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[[2-(difluoromethoxy)benzoyl]amino]-N-[1-[methyl(methylsulfonyl)amino]pentan-3-yl]-1H-pyrazole-5-carboxamide is CCC(CCN(C)S(C)(=O)=O)NC(=O)c1[nH]ncc1NC(=O)c1ccccc1OC(F)F.
What is the InChIKey of 4-[[2-(difluoromethoxy)benzoyl]amino]-N-[1-[methyl(methylsulfonyl)amino]pentan-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is LLXCXCMXFGSOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N5O5S/c1-4-12(9-10-26(2)32(3,29)30)23-18(28)16-14(11-22-25-16)24-17(27)13-7-5-6-8-15(13)31-19(20)21/h5-8,11-12,19H,4,9-10H2,1-3H3,(H,22,25)(H,23,28)(H,24,27).
What are the key properties of 4-[[2-(difluoromethoxy)benzoyl]amino]-N-[1-[methyl(methylsulfonyl)amino]pentan-3-yl]-1H-pyrazole-5-carboxamide?
4-[[2-(difluoromethoxy)benzoyl]amino]-N-[1-[methyl(methylsulfonyl)amino]pentan-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 473.50 g/mol, XLogP of 2.05, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(difluoromethoxy)benzoyl]amino]-N-[1-[methyl(methylsulfonyl)amino]pentan-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71046767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).