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

C19H16F6N6O — CID 177051237

IUPAC1-methyl-3-(trifluoromethyl)-N-[(5R)-1-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-5-yl]pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)N[C@@H]1CCc2c(cnn2-c2ccnc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H16F6N6O/c1-30-14(8-16(29-30)19(23,24)25)17(32)28-11-2-3-13-10(6-11)9-27-31(13)12-4-5-26-15(7-12)18(20,21)22/h4-5,7-9,11H,2-3,6H2,1H3,(H,28,32)/t11-/m1/s1
InChIKeyKUAXPXYTCNHVIT-LLVKDONJSA-N
MW458.37 g/mol
LogP3.33
Rot. Bonds3

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

1-methyl-3-(trifluoromethyl)-N-[(5R)-1-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-5-yl]pyrazole-5-carboxamide (PubChem CID 177051237) has the molecular formula C19H16F6N6O and a molecular weight of 458.37 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-N-[(5R)-1-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-5-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-N-[(5R)-1-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-5-yl]pyrazole-5-carboxamide
PubChem CID177051237
Molecular FormulaC19H16F6N6O
Molecular Weight458.37 g/mol
Exact Mass458.13
IUPAC Name1-methyl-3-(trifluoromethyl)-N-[(5R)-1-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-5-yl]pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)N[C@@H]1CCc2c(cnn2-c2ccnc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H16F6N6O/c1-30-14(8-16(29-30)19(23,24)25)17(32)28-11-2-3-13-10(6-11)9-27-31(13)12-4-5-26-15(7-12)18(20,21)22/h4-5,7-9,11H,2-3,6H2,1H3,(H,28,32)/t11-/m1/s1
InChIKeyKUAXPXYTCNHVIT-LLVKDONJSA-N
XLogP3.33
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477474
1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]pyrazole-5-carboxamide
CID 177050497
1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-5-yl]pyrazole-5-carboxamide
CID 177050907
1-methyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 156608717
N-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 39854597
N-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 39854596
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
1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroquinazolin-8-yl]pyrazole-5-carboxamide
CID 177051457
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
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
1-methyl-3-(trifluoromethyl)-N-[(4R)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide
CID 177050533
3-methoxy-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
CID 177050752

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-N-[(5R)-1-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-5-yl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-N-[(5R)-1-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-5-yl]pyrazole-5-carboxamide (CID 177051237) is 1-methyl-3-(trifluoromethyl)-N-[(5R)-1-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-5-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-N-[(5R)-1-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-5-yl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-N-[(5R)-1-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-5-yl]pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H]1CCc2c(cnn2-c2ccnc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-N-[(5R)-1-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-5-yl]pyrazole-5-carboxamide?
The InChIKey is KUAXPXYTCNHVIT-LLVKDONJSA-N. The full InChI is InChI=1S/C19H16F6N6O/c1-30-14(8-16(29-30)19(23,24)25)17(32)28-11-2-3-13-10(6-11)9-27-31(13)12-4-5-26-15(7-12)18(20,21)22/h4-5,7-9,11H,2-3,6H2,1H3,(H,28,32)/t11-/m1/s1.
What are the key properties of 1-methyl-3-(trifluoromethyl)-N-[(5R)-1-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-5-yl]pyrazole-5-carboxamide?
1-methyl-3-(trifluoromethyl)-N-[(5R)-1-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-5-yl]pyrazole-5-carboxamide has a molecular weight of 458.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-N-[(5R)-1-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-5-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 177051237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).