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

C16H26N6 — CID 53192562

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine
SMILESCCCn1cnnc1C1CCN(Cc2cnn(CC)c2)CC1
InChIInChI=1S/C16H26N6/c1-3-7-21-13-17-19-16(21)15-5-8-20(9-6-15)11-14-10-18-22(4-2)12-14/h10,12-13,15H,3-9,11H2,1-2H3
InChIKeyCZCRWLXKLJZDPP-UHFFFAOYSA-N
MW302.43 g/mol
LogP2.28
Rot. Bonds6

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

1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 53192562) 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-propyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine
PubChem CID53192562
Molecular FormulaC16H26N6
Molecular Weight302.43 g/mol
Exact Mass302.22
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine
SMILESCCCn1cnnc1C1CCN(Cc2cnn(CC)c2)CC1
InChIInChI=1S/C16H26N6/c1-3-7-21-13-17-19-16(21)15-5-8-20(9-6-15)11-14-10-18-22(4-2)12-14/h10,12-13,15H,3-9,11H2,1-2H3
InChIKeyCZCRWLXKLJZDPP-UHFFFAOYSA-N
XLogP2.28
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Related Compounds

4-{4-[3-(dimethylamino)propyl]-5-methyl-4H-1,2,4-triazol-3-yl}-1-methyl-1H-pyrazol-5-amine
CID 1472727
4-(4-heptyl-5-methyl-4H-1,2,4-triazol-3-yl)-1-methyl-1H-pyrazol-5-ylamine
CID 3802152
(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
4-[4-Cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(3,3-dimethylbutyl)piperidine
CID 72901693
4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 53192282
1-[(1-Ethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 53192571

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine (CID 53192562) is 1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine is CCCn1cnnc1C1CCN(Cc2cnn(CC)c2)CC1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is CZCRWLXKLJZDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6/c1-3-7-21-13-17-19-16(21)15-5-8-20(9-6-15)11-14-10-18-22(4-2)12-14/h10,12-13,15H,3-9,11H2,1-2H3.
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine?
1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 302.43 g/mol, XLogP of 2.28, 6 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-propyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 53192562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).