(1-ethylpyrazol-3-yl)-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

C19H26N8O — CID 72908387

IUPAC(1-ethylpyrazol-3-yl)-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCC(c3nnc(Cn4cccn4)n3CC)CC2)n1
InChIInChI=1S/C19H26N8O/c1-3-25-13-8-16(23-25)19(28)24-11-6-15(7-12-24)18-22-21-17(27(18)4-2)14-26-10-5-9-20-26/h5,8-10,13,15H,3-4,6-7,11-12,14H2,1-2H3
InChIKeyPRMVHNAFAXWVDK-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.78
Rot. Bonds6

About (1-ethylpyrazol-3-yl)-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

(1-ethylpyrazol-3-yl)-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 72908387) has the molecular formula C19H26N8O and a molecular weight of 382.47 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID72908387
Molecular FormulaC19H26N8O
Molecular Weight382.47 g/mol
Exact Mass382.22
IUPAC Name(1-ethylpyrazol-3-yl)-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCC(c3nnc(Cn4cccn4)n3CC)CC2)n1
InChIInChI=1S/C19H26N8O/c1-3-25-13-8-16(23-25)19(28)24-11-6-15(7-12-24)18-22-21-17(27(18)4-2)14-26-10-5-9-20-26/h5,8-10,13,15H,3-4,6-7,11-12,14H2,1-2H3
InChIKeyPRMVHNAFAXWVDK-UHFFFAOYSA-N
XLogP1.78
TPSA86.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 72934320
(1-ethylpyrazol-4-yl)-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 72891051
propyl 4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 72876935
4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(3-methylbut-2-enyl)piperidine
CID 72917015
5-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 72904793
[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 72915871
[4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 72925752
4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methoxyethyl)piperidine
CID 72863312
4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(furan-2-ylmethyl)piperidine
CID 72853190
1-[4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 72851332
2-[[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-4,6-dimethylpyrimidine
CID 72904501
2-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
CID 72847894

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 72908387) is (1-ethylpyrazol-3-yl)-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is CCn1ccc(C(=O)N2CCC(c3nnc(Cn4cccn4)n3CC)CC2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is PRMVHNAFAXWVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O/c1-3-25-13-8-16(23-25)19(28)24-11-6-15(7-12-24)18-22-21-17(27(18)4-2)14-26-10-5-9-20-26/h5,8-10,13,15H,3-4,6-7,11-12,14H2,1-2H3.
What are the key properties of (1-ethylpyrazol-3-yl)-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
(1-ethylpyrazol-3-yl)-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 382.47 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72908387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).