[3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone

C19H27FN6O — CID 171142763

IUPAC[3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone
SMILESCCn1ccc(C(=O)N2CC(CF)C(c3nc(C4CCCCC4)n[nH]3)C2)n1
InChIInChI=1S/C19H27FN6O/c1-2-26-9-8-16(24-26)19(27)25-11-14(10-20)15(12-25)18-21-17(22-23-18)13-6-4-3-5-7-13/h8-9,13-15H,2-7,10-12H2,1H3,(H,21,22,23)
InChIKeyOZAWYFXTCOAMOJ-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.89
Rot. Bonds5

About [3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone

[3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone (PubChem CID 171142763) has the molecular formula C19H27FN6O and a molecular weight of 374.46 g/mol. Its IUPAC name is [3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone
PubChem CID171142763
Molecular FormulaC19H27FN6O
Molecular Weight374.46 g/mol
Exact Mass374.22
IUPAC Name[3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone
SMILESCCn1ccc(C(=O)N2CC(CF)C(c3nc(C4CCCCC4)n[nH]3)C2)n1
InChIInChI=1S/C19H27FN6O/c1-2-26-9-8-16(24-26)19(27)25-11-14(10-20)15(12-25)18-21-17(22-23-18)13-6-4-3-5-7-13/h8-9,13-15H,2-7,10-12H2,1H3,(H,21,22,23)
InChIKeyOZAWYFXTCOAMOJ-UHFFFAOYSA-N
XLogP2.89
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone?
The IUPAC name of [3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone (CID 171142763) is [3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone?
The canonical SMILES for [3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone is CCn1ccc(C(=O)N2CC(CF)C(c3nc(C4CCCCC4)n[nH]3)C2)n1.
What is the InChIKey of [3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone?
The InChIKey is OZAWYFXTCOAMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN6O/c1-2-26-9-8-16(24-26)19(27)25-11-14(10-20)15(12-25)18-21-17(22-23-18)13-6-4-3-5-7-13/h8-9,13-15H,2-7,10-12H2,1H3,(H,21,22,23).
What are the key properties of [3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone?
[3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone has a molecular weight of 374.46 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 171142763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).