(4-chloro-1-ethylpyrazol-3-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

C14H19ClN6O — CID 87052100

IUPAC(4-chloro-1-ethylpyrazol-3-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCCn1cc(Cl)c(C(=O)N2CCCCC2c2nncn2C)n1
InChIInChI=1S/C14H19ClN6O/c1-3-20-8-10(15)12(18-20)14(22)21-7-5-4-6-11(21)13-17-16-9-19(13)2/h8-9,11H,3-7H2,1-2H3
InChIKeyZLNMRYUNMCAXFU-UHFFFAOYSA-N
MW322.80 g/mol
LogP2.05
Rot. Bonds3

About (4-chloro-1-ethylpyrazol-3-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

(4-chloro-1-ethylpyrazol-3-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 87052100) has the molecular formula C14H19ClN6O and a molecular weight of 322.80 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-3-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-3-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID87052100
Molecular FormulaC14H19ClN6O
Molecular Weight322.80 g/mol
Exact Mass322.13
IUPAC Name(4-chloro-1-ethylpyrazol-3-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCCn1cc(Cl)c(C(=O)N2CCCCC2c2nncn2C)n1
InChIInChI=1S/C14H19ClN6O/c1-3-20-8-10(15)12(18-20)14(22)21-7-5-4-6-11(21)13-17-16-9-19(13)2/h8-9,11H,3-7H2,1-2H3
InChIKeyZLNMRYUNMCAXFU-UHFFFAOYSA-N
XLogP2.05
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-chloro-1-ethylpyrazol-3-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone 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-chloro-1-ethylpyrazol-3-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-3-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 87052100) is (4-chloro-1-ethylpyrazol-3-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-3-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-3-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is CCn1cc(Cl)c(C(=O)N2CCCCC2c2nncn2C)n1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-3-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is ZLNMRYUNMCAXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6O/c1-3-20-8-10(15)12(18-20)14(22)21-7-5-4-6-11(21)13-17-16-9-19(13)2/h8-9,11H,3-7H2,1-2H3.
What are the key properties of (4-chloro-1-ethylpyrazol-3-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
(4-chloro-1-ethylpyrazol-3-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 322.80 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-3-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 87052100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).