3-(difluoromethyl)-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide

C19H17F5N6O — CID 177051259

IUPAC3-(difluoromethyl)-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
SMILESCn1nc(C(F)F)cc1C(=O)N[C@H]1CCCc2nn(-c3ccnc(C(F)(F)F)c3)cc21
InChIInChI=1S/C19H17F5N6O/c1-29-15(8-14(27-29)17(20)21)18(31)26-12-3-2-4-13-11(12)9-30(28-13)10-5-6-25-16(7-10)19(22,23)24/h5-9,12,17H,2-4H2,1H3,(H,26,31)/t12-/m0/s1
InChIKeyITUPXYJQPNRUTG-LBPRGKRZSA-N
MW440.38 g/mol
LogP3.76
Rot. Bonds4

About 3-(difluoromethyl)-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide

3-(difluoromethyl)-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide (PubChem CID 177051259) has the molecular formula C19H17F5N6O and a molecular weight of 440.38 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
PubChem CID177051259
Molecular FormulaC19H17F5N6O
Molecular Weight440.38 g/mol
Exact Mass440.14
IUPAC Name3-(difluoromethyl)-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
SMILESCn1nc(C(F)F)cc1C(=O)N[C@H]1CCCc2nn(-c3ccnc(C(F)(F)F)c3)cc21
InChIInChI=1S/C19H17F5N6O/c1-29-15(8-14(27-29)17(20)21)18(31)26-12-3-2-4-13-11(12)9-30(28-13)10-5-6-25-16(7-10)19(22,23)24/h5-9,12,17H,2-4H2,1H3,(H,26,31)/t12-/m0/s1
InChIKeyITUPXYJQPNRUTG-LBPRGKRZSA-N
XLogP3.76
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,1-difluoroethyl)-1-methyl-N-[(4R)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
CID 177051292
3-methoxy-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
CID 177050752
1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]pyrazole-5-carboxamide
CID 177050497
N-[(4S)-2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 177051201
N-[(4S)-2-indolizin-7-yl-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 177050897
1-methyl-N-[2-(6-oxo-1H-pyridin-3-yl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 177051413
3,5-difluoro-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide
CID 177050146
4-methylsulfonyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide
CID 177050976
3-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide
CID 177050621
1-methyl-3-(trifluoromethyl)-N-[(7S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]pyrazole-5-carboxamide
CID 177051612
N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-4-yl]-3-(trifluoromethyl)benzamide
CID 177050002
(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine
CID 177051594

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide?
The IUPAC name of 3-(difluoromethyl)-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide (CID 177051259) is 3-(difluoromethyl)-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide is Cn1nc(C(F)F)cc1C(=O)N[C@H]1CCCc2nn(-c3ccnc(C(F)(F)F)c3)cc21.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide?
The InChIKey is ITUPXYJQPNRUTG-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17F5N6O/c1-29-15(8-14(27-29)17(20)21)18(31)26-12-3-2-4-13-11(12)9-30(28-13)10-5-6-25-16(7-10)19(22,23)24/h5-9,12,17H,2-4H2,1H3,(H,26,31)/t12-/m0/s1.
What are the key properties of 3-(difluoromethyl)-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide?
3-(difluoromethyl)-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide has a molecular weight of 440.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 177051259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).