5-amino-1-(2-fluoro-6-methoxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C18H15F4N5O2 — CID 122640471

IUPAC5-amino-1-(2-fluoro-6-methoxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1cccc(F)c1-n1nc(C)c(C(=O)Nc2ccc(C(F)(F)F)cn2)c1N
InChIInChI=1S/C18H15F4N5O2/c1-9-14(17(28)25-13-7-6-10(8-24-13)18(20,21)22)16(23)27(26-9)15-11(19)4-3-5-12(15)29-2/h3-8H,23H2,1-2H3,(H,24,25,28)
InChIKeyJMGCXQDJARHNKA-UHFFFAOYSA-N
MW409.34 g/mol
LogP3.58
Rot. Bonds4

About 5-amino-1-(2-fluoro-6-methoxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

5-amino-1-(2-fluoro-6-methoxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 122640471) has the molecular formula C18H15F4N5O2 and a molecular weight of 409.34 g/mol. Its IUPAC name is 5-amino-1-(2-fluoro-6-methoxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(2-fluoro-6-methoxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID122640471
Molecular FormulaC18H15F4N5O2
Molecular Weight409.34 g/mol
Exact Mass409.12
IUPAC Name5-amino-1-(2-fluoro-6-methoxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1cccc(F)c1-n1nc(C)c(C(=O)Nc2ccc(C(F)(F)F)cn2)c1N
InChIInChI=1S/C18H15F4N5O2/c1-9-14(17(28)25-13-7-6-10(8-24-13)18(20,21)22)16(23)27(26-9)15-11(19)4-3-5-12(15)29-2/h3-8H,23H2,1-2H3,(H,24,25,28)
InChIKeyJMGCXQDJARHNKA-UHFFFAOYSA-N
XLogP3.58
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.34
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 122640650
5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methylphenyl)-3-methylpyrazole-4-carboxamide
CID 122640425
5-amino-1-[2-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 140861992
1-(3-methoxyphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]urea
CID 2814321
4-(3-methoxy-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59672591
ethyl 2,6-difluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]benzenecarboximidate
CID 54006642
5-amino-N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 140862024
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-2,6-dimethoxybenzamide
CID 113028188
2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide
CID 118326054
2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide
CID 81410023
2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 24856002
5-amino-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 24896989

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-fluoro-6-methoxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(2-fluoro-6-methoxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 122640471) is 5-amino-1-(2-fluoro-6-methoxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(2-fluoro-6-methoxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(2-fluoro-6-methoxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is COc1cccc(F)c1-n1nc(C)c(C(=O)Nc2ccc(C(F)(F)F)cn2)c1N.
What is the InChIKey of 5-amino-1-(2-fluoro-6-methoxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is JMGCXQDJARHNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N5O2/c1-9-14(17(28)25-13-7-6-10(8-24-13)18(20,21)22)16(23)27(26-9)15-11(19)4-3-5-12(15)29-2/h3-8H,23H2,1-2H3,(H,24,25,28).
What are the key properties of 5-amino-1-(2-fluoro-6-methoxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
5-amino-1-(2-fluoro-6-methoxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 409.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-fluoro-6-methoxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 122640471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).