1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine

C16H26N6 — CID 53192571

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCCn1cc(CN2CCC(c3nncn3C(C)C)CC2)cn1
InChIInChI=1S/C16H26N6/c1-4-21-11-14(9-18-21)10-20-7-5-15(6-8-20)16-19-17-12-22(16)13(2)3/h9,11-13,15H,4-8,10H2,1-3H3
InChIKeyMBHJXOPLDSXIAF-UHFFFAOYSA-N
MW302.43 g/mol
LogP2.45
Rot. Bonds5

About 1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine

1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (PubChem CID 53192571) has the molecular formula C16H26N6 and a molecular weight of 302.43 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
PubChem CID53192571
Molecular FormulaC16H26N6
Molecular Weight302.43 g/mol
Exact Mass302.22
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCCn1cc(CN2CCC(c3nncn3C(C)C)CC2)cn1
InChIInChI=1S/C16H26N6/c1-4-21-11-14(9-18-21)10-20-7-5-15(6-8-20)16-19-17-12-22(16)13(2)3/h9,11-13,15H,4-8,10H2,1-3H3
InChIKeyMBHJXOPLDSXIAF-UHFFFAOYSA-N
XLogP2.45
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine with MolForge

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Related Compounds

4-(4-heptyl-5-methyl-4H-1,2,4-triazol-3-yl)-1-methyl-1H-pyrazol-5-ylamine
CID 3802152
5,8-Dimethyl-2-[2-[2-methyl-5-(2-methylpyrrolidin-1-yl)-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 72703297
5,8-dimethyl-2-[2-[2-methyl-5-[(2S)-2-methylpyrrolidin-1-yl]-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 90017448
5,8-dimethyl-2-[2-[2-methyl-5-[(2R)-2-methylpyrrolidin-1-yl]-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 90017483
(1-Tert-butylpyrazol-4-yl)-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53551597
1-[(5-Cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 53597785
3-Cyclopropyl-4-methyl-5-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-triazole
CID 53627292
2-[(4-Methylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 56780376
1,6-Dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 56816158
1-(4-ethyl-5-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}-4H-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
CID 70712075
1-(4-ethyl-5-{1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl}-4H-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
CID 70739864
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine
CID 71928273

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (CID 53192571) is 1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is CCn1cc(CN2CCC(c3nncn3C(C)C)CC2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is MBHJXOPLDSXIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6/c1-4-21-11-14(9-18-21)10-20-7-5-15(6-8-20)16-19-17-12-22(16)13(2)3/h9,11-13,15H,4-8,10H2,1-3H3.
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 302.43 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 53192571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).