N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide

C12H13F3N6O2 — CID 154772017

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCOc1n[nH]c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)n1
InChIInChI=1S/C12H13F3N6O2/c1-23-11-17-10(18-19-11)16-8(22)5-21-7-4-2-3-6(7)9(20-21)12(13,14)15/h2-5H2,1H3,(H2,16,17,18,19,22)
InChIKeyXBXMNLAJNMHRFP-UHFFFAOYSA-N
MW330.27 g/mol
LogP1.16
Rot. Bonds4

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (PubChem CID 154772017) has the molecular formula C12H13F3N6O2 and a molecular weight of 330.27 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
PubChem CID154772017
Molecular FormulaC12H13F3N6O2
Molecular Weight330.27 g/mol
Exact Mass330.11
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCOc1n[nH]c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)n1
InChIInChI=1S/C12H13F3N6O2/c1-23-11-17-10(18-19-11)16-8(22)5-21-7-4-2-3-6(7)9(20-21)12(13,14)15/h2-5H2,1H3,(H2,16,17,18,19,22)
InChIKeyXBXMNLAJNMHRFP-UHFFFAOYSA-N
XLogP1.16
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (CID 154772017) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is COc1n[nH]c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The InChIKey is XBXMNLAJNMHRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N6O2/c1-23-11-17-10(18-19-11)16-8(22)5-21-7-4-2-3-6(7)9(20-21)12(13,14)15/h2-5H2,1H3,(H2,16,17,18,19,22).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide has a molecular weight of 330.27 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is sourced from PubChem (CID 154772017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).