N-[3-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide

C18H17ClF2N6O2 — CID 19517621

IUPACN-[3-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(F)F)nn1CC(=O)Nc1cccc(NC(=O)c2ccn(C)n2)c1
InChIInChI=1S/C18H17ClF2N6O2/c1-10-15(19)16(17(20)21)25-27(10)9-14(28)22-11-4-3-5-12(8-11)23-18(29)13-6-7-26(2)24-13/h3-8,17H,9H2,1-2H3,(H,22,28)(H,23,29)
InChIKeyWMAUKOZUQUTSBT-UHFFFAOYSA-N
MW422.82 g/mol
LogP3.41
Rot. Bonds6

About N-[3-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide

N-[3-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 19517621) has the molecular formula C18H17ClF2N6O2 and a molecular weight of 422.82 g/mol. Its IUPAC name is N-[3-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
PubChem CID19517621
Molecular FormulaC18H17ClF2N6O2
Molecular Weight422.82 g/mol
Exact Mass422.11
IUPAC NameN-[3-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(F)F)nn1CC(=O)Nc1cccc(NC(=O)c2ccn(C)n2)c1
InChIInChI=1S/C18H17ClF2N6O2/c1-10-15(19)16(17(20)21)25-27(10)9-14(28)22-11-4-3-5-12(8-11)23-18(29)13-6-7-26(2)24-13/h3-8,17H,9H2,1-2H3,(H,22,28)(H,23,29)
InChIKeyWMAUKOZUQUTSBT-UHFFFAOYSA-N
XLogP3.41
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.82
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19530365
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 19517380
1-methyl-N-[3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]pyrazole-3-carboxamide
CID 19563725
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-fluoro-5-methylphenyl)acetamide
CID 19517466
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-phenylethyl)acetamide
CID 19517437
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-cyanophenyl)acetamide
CID 19517544
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 19517389
N-[4-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19515848
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 19517631
methyl 6-[[2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-3-chloro-1-benzothiophene-2-carboxylate
CID 19520149
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19262615
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]acetamide
CID 19517511

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide (CID 19517621) is N-[3-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide is Cc1c(Cl)c(C(F)F)nn1CC(=O)Nc1cccc(NC(=O)c2ccn(C)n2)c1.
What is the InChIKey of N-[3-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is WMAUKOZUQUTSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N6O2/c1-10-15(19)16(17(20)21)25-27(10)9-14(28)22-11-4-3-5-12(8-11)23-18(29)13-6-7-26(2)24-13/h3-8,17H,9H2,1-2H3,(H,22,28)(H,23,29).
What are the key properties of N-[3-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide?
N-[3-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 422.82 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19517621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).