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

C20H21F3N6O2 — CID 177051201

IUPACN-[(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
SMILESCn1nc(C(F)(F)F)cc1C(=O)N[C@H]1CCc2nn(-c3ccnc(C(C)(C)O)c3)cc21
InChIInChI=1S/C20H21F3N6O2/c1-19(2,31)16-8-11(6-7-24-16)29-10-12-13(4-5-14(12)26-29)25-18(30)15-9-17(20(21,22)23)27-28(15)3/h6-10,13,31H,4-5H2,1-3H3,(H,25,30)/t13-/m0/s1
InChIKeyILZHRVNPVVFMQF-ZDUSSCGKSA-N
MW434.42 g/mol
LogP2.66
Rot. Bonds4

About 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

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 (PubChem CID 177051201) has the molecular formula C20H21F3N6O2 and a molecular weight of 434.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID177051201
Molecular FormulaC20H21F3N6O2
Molecular Weight434.42 g/mol
Exact Mass434.17
IUPAC NameN-[(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
SMILESCn1nc(C(F)(F)F)cc1C(=O)N[C@H]1CCc2nn(-c3ccnc(C(C)(C)O)c3)cc21
InChIInChI=1S/C20H21F3N6O2/c1-19(2,31)16-8-11(6-7-24-16)29-10-12-13(4-5-14(12)26-29)25-18(30)15-9-17(20(21,22)23)27-28(15)3/h6-10,13,31H,4-5H2,1-3H3,(H,25,30)/t13-/m0/s1
InChIKeyILZHRVNPVVFMQF-ZDUSSCGKSA-N
XLogP2.66
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]pyrazole-5-carboxamide
CID 177050497
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
3-(difluoromethyl)-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
CID 177051259
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
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
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
(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine
CID 177051594
N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-4-yl]-3-(trifluoromethyl)benzamide
CID 177050002

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1nc(C(F)(F)F)cc1C(=O)N[C@H]1CCc2nn(-c3ccnc(C(C)(C)O)c3)cc21.
What is the InChIKey of 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?
The InChIKey is ILZHRVNPVVFMQF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21F3N6O2/c1-19(2,31)16-8-11(6-7-24-16)29-10-12-13(4-5-14(12)26-29)25-18(30)15-9-17(20(21,22)23)27-28(15)3/h6-10,13,31H,4-5H2,1-3H3,(H,25,30)/t13-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 434.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177051201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).