4-cyclopropyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]triazole

C19H22N6 — CID 138025120

IUPAC4-cyclopropyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]triazole
SMILESc1ccc(-n2ccc(CN3CCC(n4cc(C5CC5)nn4)C3)n2)cc1
InChIInChI=1S/C19H22N6/c1-2-4-17(5-3-1)24-11-8-16(21-24)12-23-10-9-18(13-23)25-14-19(20-22-25)15-6-7-15/h1-5,8,11,14-15,18H,6-7,9-10,12-13H2
InChIKeySZLCLYKITCDOND-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.79
Rot. Bonds5

About 4-cyclopropyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]triazole

4-cyclopropyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]triazole (PubChem CID 138025120) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 4-cyclopropyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]triazole.

Molecular Properties

Compound Name4-cyclopropyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]triazole
PubChem CID138025120
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name4-cyclopropyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]triazole
SMILESc1ccc(-n2ccc(CN3CCC(n4cc(C5CC5)nn4)C3)n2)cc1
InChIInChI=1S/C19H22N6/c1-2-4-17(5-3-1)24-11-8-16(21-24)12-23-10-9-18(13-23)25-14-19(20-22-25)15-6-7-15/h1-5,8,11,14-15,18H,6-7,9-10,12-13H2
InChIKeySZLCLYKITCDOND-UHFFFAOYSA-N
XLogP2.79
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-cyclopropyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]triazole 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 4-cyclopropyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]triazole?
The IUPAC name of 4-cyclopropyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]triazole (CID 138025120) is 4-cyclopropyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]triazole.
What is the SMILES notation for 4-cyclopropyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]triazole?
The canonical SMILES for 4-cyclopropyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]triazole is c1ccc(-n2ccc(CN3CCC(n4cc(C5CC5)nn4)C3)n2)cc1.
What is the InChIKey of 4-cyclopropyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]triazole?
The InChIKey is SZLCLYKITCDOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-2-4-17(5-3-1)24-11-8-16(21-24)12-23-10-9-18(13-23)25-14-19(20-22-25)15-6-7-15/h1-5,8,11,14-15,18H,6-7,9-10,12-13H2.
What are the key properties of 4-cyclopropyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]triazole?
4-cyclopropyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]triazole has a molecular weight of 334.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]triazole is sourced from PubChem (CID 138025120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).