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

C17H11F6N5O — CID 44588988

IUPAC4-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1
InChIInChI=1S/C17H11F6N5O/c18-16(19,20)13-7-14(17(21,22)23)28(27-13)10-3-1-9(2-4-10)26-15(29)11-8-25-6-5-12(11)24/h1-8H,(H2,24,25)(H,26,29)
InChIKeyAXMNOPYHDGDDMR-UHFFFAOYSA-N
MW415.30 g/mol
LogP4.14
Rot. Bonds3

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

4-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide (PubChem CID 44588988) has the molecular formula C17H11F6N5O and a molecular weight of 415.30 g/mol. Its IUPAC name is 4-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
PubChem CID44588988
Molecular FormulaC17H11F6N5O
Molecular Weight415.30 g/mol
Exact Mass415.09
IUPAC Name4-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1
InChIInChI=1S/C17H11F6N5O/c18-16(19,20)13-7-14(17(21,22)23)28(27-13)10-3-1-9(2-4-10)26-15(29)11-8-25-6-5-12(11)24/h1-8H,(H2,24,25)(H,26,29)
InChIKeyAXMNOPYHDGDDMR-UHFFFAOYSA-N
XLogP4.14
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.30
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2,4-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
Safimaltib
CID 134609793
Pyrazole, 3,5-dimethyl-1-nicotinoyl-
CID 205203
N-(3-fluoro-4-pyridinyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165415060
N-(4-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)benzamide
CID 52942123
5-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridine-3-carboxamide
CID 137646593
4-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-pyridinyl)benzamide
CID 826943

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 4-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide (CID 44588988) is 4-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide is Nc1ccncc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1.
What is the InChIKey of 4-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is AXMNOPYHDGDDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F6N5O/c18-16(19,20)13-7-14(17(21,22)23)28(27-13)10-3-1-9(2-4-10)26-15(29)11-8-25-6-5-12(11)24/h1-8H,(H2,24,25)(H,26,29).
What are the key properties of 4-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?
4-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 415.30 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 44588988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).