N-(azetidin-3-yl)-1-(2,6-dichlorobenzoyl)-4-[(2,6-dichlorobenzoyl)amino]-N-methylpyrazole-3-carboxamide

C22H17Cl4N5O3 — CID 171649639

IUPACN-(azetidin-3-yl)-1-(2,6-dichlorobenzoyl)-4-[(2,6-dichlorobenzoyl)amino]-N-methylpyrazole-3-carboxamide
SMILESCN(C(=O)c1nn(C(=O)c2c(Cl)cccc2Cl)cc1NC(=O)c1c(Cl)cccc1Cl)C1CNC1
InChIInChI=1S/C22H17Cl4N5O3/c1-30(11-8-27-9-11)22(34)19-16(28-20(32)17-12(23)4-2-5-13(17)24)10-31(29-19)21(33)18-14(25)6-3-7-15(18)26/h2-7,10-11,27H,8-9H2,1H3,(H,28,32)
InChIKeyXUSIOFRAMFLWKV-UHFFFAOYSA-N
MW541.22 g/mol
LogP4.48
Rot. Bonds5

About N-(azetidin-3-yl)-1-(2,6-dichlorobenzoyl)-4-[(2,6-dichlorobenzoyl)amino]-N-methylpyrazole-3-carboxamide

N-(azetidin-3-yl)-1-(2,6-dichlorobenzoyl)-4-[(2,6-dichlorobenzoyl)amino]-N-methylpyrazole-3-carboxamide (PubChem CID 171649639) has the molecular formula C22H17Cl4N5O3 and a molecular weight of 541.22 g/mol. Its IUPAC name is N-(azetidin-3-yl)-1-(2,6-dichlorobenzoyl)-4-[(2,6-dichlorobenzoyl)amino]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-1-(2,6-dichlorobenzoyl)-4-[(2,6-dichlorobenzoyl)amino]-N-methylpyrazole-3-carboxamide
PubChem CID171649639
Molecular FormulaC22H17Cl4N5O3
Molecular Weight541.22 g/mol
Exact Mass539.01
IUPAC NameN-(azetidin-3-yl)-1-(2,6-dichlorobenzoyl)-4-[(2,6-dichlorobenzoyl)amino]-N-methylpyrazole-3-carboxamide
SMILESCN(C(=O)c1nn(C(=O)c2c(Cl)cccc2Cl)cc1NC(=O)c1c(Cl)cccc1Cl)C1CNC1
InChIInChI=1S/C22H17Cl4N5O3/c1-30(11-8-27-9-11)22(34)19-16(28-20(32)17-12(23)4-2-5-13(17)24)10-31(29-19)21(33)18-14(25)6-3-7-15(18)26/h2-7,10-11,27H,8-9H2,1H3,(H,28,32)
InChIKeyXUSIOFRAMFLWKV-UHFFFAOYSA-N
XLogP4.48
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.22
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(azetidin-3-yl)-1-(2,6-dichlorobenzoyl)-4-[(2,6-dichlorobenzoyl)amino]-N-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

methyl 2-[[3-[azetidin-3-yl(methyl)carbamoyl]-4-[(2,6-dichlorobenzoyl)amino]pyrazole-1-carbonyl]amino]benzoate
CID 171649611
4-[(2,6-dichlorobenzoyl)amino]-1-methylsulfonyl-N-piperidin-4-ylpyrazole-3-carboxamide
CID 171649605
3-[azetidin-3-yl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 66185509
2-[azetidin-3-yl(methyl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 66186198
2,6-dichloro-N-(2-methylimidazo[1,2-a]pyridin-8-yl)benzamide
CID 10591757
3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide
CID 66186658
4-[(2,6-dichlorobenzoyl)amino]-1-(dodecoxymethyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride
CID 155229814
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2,6-dichlorophenyl)methanone
CID 66212765
2,6-dichloro-N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide
CID 67767428
N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,6-dichlorobenzoyl)-4-[(2,6-dichlorobenzoyl)amino]-1,3-dihydropyrazole-5-carboxamide
CID 172653922
2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 66181735
2,6-dichloro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide
CID 43594211

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-1-(2,6-dichlorobenzoyl)-4-[(2,6-dichlorobenzoyl)amino]-N-methylpyrazole-3-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-1-(2,6-dichlorobenzoyl)-4-[(2,6-dichlorobenzoyl)amino]-N-methylpyrazole-3-carboxamide (CID 171649639) is N-(azetidin-3-yl)-1-(2,6-dichlorobenzoyl)-4-[(2,6-dichlorobenzoyl)amino]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-1-(2,6-dichlorobenzoyl)-4-[(2,6-dichlorobenzoyl)amino]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-1-(2,6-dichlorobenzoyl)-4-[(2,6-dichlorobenzoyl)amino]-N-methylpyrazole-3-carboxamide is CN(C(=O)c1nn(C(=O)c2c(Cl)cccc2Cl)cc1NC(=O)c1c(Cl)cccc1Cl)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-1-(2,6-dichlorobenzoyl)-4-[(2,6-dichlorobenzoyl)amino]-N-methylpyrazole-3-carboxamide?
The InChIKey is XUSIOFRAMFLWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl4N5O3/c1-30(11-8-27-9-11)22(34)19-16(28-20(32)17-12(23)4-2-5-13(17)24)10-31(29-19)21(33)18-14(25)6-3-7-15(18)26/h2-7,10-11,27H,8-9H2,1H3,(H,28,32).
What are the key properties of N-(azetidin-3-yl)-1-(2,6-dichlorobenzoyl)-4-[(2,6-dichlorobenzoyl)amino]-N-methylpyrazole-3-carboxamide?
N-(azetidin-3-yl)-1-(2,6-dichlorobenzoyl)-4-[(2,6-dichlorobenzoyl)amino]-N-methylpyrazole-3-carboxamide has a molecular weight of 541.22 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-1-(2,6-dichlorobenzoyl)-4-[(2,6-dichlorobenzoyl)amino]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 171649639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).