cis-(1R,2S)-2-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropane-1-carboxamide

C13H16F3N3O — CID 166296440

IUPACcis-(1R,2S)-2-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)NC1Cc2[nH]ncc2C(C(F)(F)F)C1
InChIInChI=1S/C13H16F3N3O/c1-6-2-8(6)12(20)18-7-3-10(13(14,15)16)9-5-17-19-11(9)4-7/h5-8,10H,2-4H2,1H3,(H,17,19)(H,18,20)/t6-,7?,8+,10?/m0/s1
InChIKeyLLYKEDBKFNBNFW-GHEZPCSUSA-N
MW287.29 g/mol
LogP2.14
Rot. Bonds2

About cis-(1R,2S)-2-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropane-1-carboxamide (PubChem CID 166296440) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is cis-(1R,2S)-2-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropane-1-carboxamide
PubChem CID166296440
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Namecis-(1R,2S)-2-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)NC1Cc2[nH]ncc2C(C(F)(F)F)C1
InChIInChI=1S/C13H16F3N3O/c1-6-2-8(6)12(20)18-7-3-10(13(14,15)16)9-5-17-19-11(9)4-7/h5-8,10H,2-4H2,1H3,(H,17,19)(H,18,20)/t6-,7?,8+,10?/m0/s1
InChIKeyLLYKEDBKFNBNFW-GHEZPCSUSA-N
XLogP2.14
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropane-1-carboxamide (CID 166296440) is cis-(1R,2S)-2-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropane-1-carboxamide is C[C@H]1C[C@H]1C(=O)NC1Cc2[nH]ncc2C(C(F)(F)F)C1.
What is the InChIKey of cis-(1R,2S)-2-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropane-1-carboxamide?
The InChIKey is LLYKEDBKFNBNFW-GHEZPCSUSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-6-2-8(6)12(20)18-7-3-10(13(14,15)16)9-5-17-19-11(9)4-7/h5-8,10H,2-4H2,1H3,(H,17,19)(H,18,20)/t6-,7?,8+,10?/m0/s1.
What are the key properties of cis-(1R,2S)-2-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropane-1-carboxamide has a molecular weight of 287.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 166296440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).