(5S)-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

C13H16F3N3O — CID 164631535

IUPAC(5S)-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESO=C(NCC1(C(F)(F)F)CC1)[C@H]1CCc2[nH]ncc2C1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)12(3-4-12)7-17-11(20)8-1-2-10-9(5-8)6-18-19-10/h6,8H,1-5,7H2,(H,17,20)(H,18,19)/t8-/m0/s1
InChIKeyDVHVVNNVVSKLAR-QMMMGPOBSA-N
MW287.28 g/mol
LogP1.97
Rot. Bonds3

About (5S)-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

(5S)-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (PubChem CID 164631535) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is (5S)-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
PubChem CID164631535
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC Name(5S)-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESO=C(NCC1(C(F)(F)F)CC1)[C@H]1CCc2[nH]ncc2C1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)12(3-4-12)7-17-11(20)8-1-2-10-9(5-8)6-18-19-10/h6,8H,1-5,7H2,(H,17,20)(H,18,19)/t8-/m0/s1
InChIKeyDVHVVNNVVSKLAR-QMMMGPOBSA-N
XLogP1.97
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,6,7-Tetrahydro-2h-indazole-5-carboxamide
CID 131086682
N-(3-bicyclo[3.1.0]hexanyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 128897734
N-cyclopropyl-4-(3-fluoro-2,3-dihydropyridin-2-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)cyclohex-3-ene-1-carboxamide
CID 89519741
1-[(1R)-1-[5-(3,3,3-trifluoropropyl)-1H-pyrazol-4-yl]ethyl]cyclopropane-1-carboxamide
CID 141643706
N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide
CID 15453548
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 48414267
4,4,4-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide
CID 65711772
4,4-difluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexane-1-carboxamide
CID 81932762
2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide
CID 108451000
(4,4-difluorocyclohexyl)-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 110106620
4,4-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrrolidine-2-carboxamide
CID 120348274
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide;hydrochloride
CID 120810634

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The IUPAC name of (5S)-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (CID 164631535) is (5S)-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for (5S)-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The canonical SMILES for (5S)-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is O=C(NCC1(C(F)(F)F)CC1)[C@H]1CCc2[nH]ncc2C1.
What is the InChIKey of (5S)-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The InChIKey is DVHVVNNVVSKLAR-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)12(3-4-12)7-17-11(20)8-1-2-10-9(5-8)6-18-19-10/h6,8H,1-5,7H2,(H,17,20)(H,18,19)/t8-/m0/s1.
What are the key properties of (5S)-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
(5S)-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 164631535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).