N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide

C17H10F6N4O — CID 10222604

IUPACN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C17H10F6N4O/c18-16(19,20)13-8-14(17(21,22)23)27(26-13)12-5-3-11(4-6-12)25-15(28)10-2-1-7-24-9-10/h1-9H,(H,25,28)
InChIKeyQZUUGCMQYFEGBJ-UHFFFAOYSA-N
MW400.28 g/mol
LogP4.56
Rot. Bonds3

About N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide

N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide (PubChem CID 10222604) has the molecular formula C17H10F6N4O and a molecular weight of 400.28 g/mol. Its IUPAC name is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
PubChem CID10222604
Molecular FormulaC17H10F6N4O
Molecular Weight400.28 g/mol
Exact Mass400.08
IUPAC NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C17H10F6N4O/c18-16(19,20)13-8-14(17(21,22)23)27(26-13)12-5-3-11(4-6-12)25-15(28)10-2-1-7-24-9-10/h1-9H,(H,25,28)
InChIKeyQZUUGCMQYFEGBJ-UHFFFAOYSA-N
XLogP4.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Fluxapyroxad
CID 16095400
1-phenyl-3-(pyridin-4-yl)-1H-pyrazole-4-carbaldehyde
CID 877236
N4-(4-fluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2808002
N-(4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-3-fluoroisonicotinamide
CID 10598093
N-[4-(5-Ethyl-3-Pyridin-3-Yl-1h-Pyrazol-1-Yl)phenyl]pyridine-3-Carboxamide
CID 9820664
n-(2-Fluorophenyl)nicotinamide
CID 279880
Csf1R-IN-1
CID 137333440
5-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 827598
N-(2,4-difluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811411
N-[4-(4-bromo-1H-pyrazol-1-yl)phenyl]isonicotinamide
CID 6463138
N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 654213
N-(4-fluorophenyl)pyridine-3-carboxamide
CID 279881

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide (CID 10222604) is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cccnc1.
What is the InChIKey of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is QZUUGCMQYFEGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N4O/c18-16(19,20)13-8-14(17(21,22)23)27(26-13)12-5-3-11(4-6-12)25-15(28)10-2-1-7-24-9-10/h1-9H,(H,25,28).
What are the key properties of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 400.28 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 10222604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).