2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide

C18H11ClF6N4O2 — CID 87687354

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1ccnn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C18H11ClF6N4O2/c19-13-7-11(17(20,21)22)9-26-15(13)29-14(5-6-28-29)16(30)27-8-10-1-3-12(4-2-10)31-18(23,24)25/h1-7,9H,8H2,(H,27,30)
InChIKeyBMHULQRVCVIIMR-UHFFFAOYSA-N
MW464.75 g/mol
LogP4.77
Rot. Bonds5

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide (PubChem CID 87687354) has the molecular formula C18H11ClF6N4O2 and a molecular weight of 464.75 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide
PubChem CID87687354
Molecular FormulaC18H11ClF6N4O2
Molecular Weight464.75 g/mol
Exact Mass464.05
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1ccnn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C18H11ClF6N4O2/c19-13-7-11(17(20,21)22)9-26-15(13)29-14(5-6-28-29)16(30)27-8-10-1-3-12(4-2-10)31-18(23,24)25/h1-7,9H,8H2,(H,27,30)
InChIKeyBMHULQRVCVIIMR-UHFFFAOYSA-N
XLogP4.77
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.75
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dichloro-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 69083738
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 69086236
2-(3,5-dichloro-2-pyridinyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-3-carboxamide
CID 69084483
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide
CID 3702021
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 69083553
3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 54945268
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
CID 14821018
N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 37039688
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrole-2-carboxamide
CID 87686496
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-6-yl] hydrogen carbonate
CID 139617802
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 3300381
5-propan-2-yl-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 46430520

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide (CID 87687354) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide is O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccnn1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide?
The InChIKey is BMHULQRVCVIIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF6N4O2/c19-13-7-11(17(20,21)22)9-26-15(13)29-14(5-6-28-29)16(30)27-8-10-1-3-12(4-2-10)31-18(23,24)25/h1-7,9H,8H2,(H,27,30).
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide has a molecular weight of 464.75 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 87687354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).