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

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Related Compounds

[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
CID 62885174
1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115966906
4-methoxy-1-[[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]methyl]piperidine
CID 138029905
N-methyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922019
N-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride
CID 119919223
1-[(1-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid
CID 62885515
2-[[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 146139036
1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63595893
4-cyclopropyl-1-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolidin-3-yl]triazole
CID 146139048
1-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-indol-1-ylethanone
CID 124760367
2-[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]ethanol
CID 62887635
4-(4-cyclopropyltriazol-1-yl)-1-(furan-3-ylmethyl)piperidine
CID 31125414

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).