[4-[(4-chlorotriazol-1-yl)methyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone

C14H19ClN6O — CID 169284586

IUPAC[4-[(4-chlorotriazol-1-yl)methyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(Cn3cc(Cl)nn3)CC2)nn1C
InChIInChI=1S/C14H19ClN6O/c1-10-7-12(17-19(10)2)14(22)20-5-3-11(4-6-20)8-21-9-13(15)16-18-21/h7,9,11H,3-6,8H2,1-2H3
InChIKeyCIMONTYMOXHPIC-UHFFFAOYSA-N
MW322.80 g/mol
LogP1.53
Rot. Bonds3

About [4-[(4-chlorotriazol-1-yl)methyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone

[4-[(4-chlorotriazol-1-yl)methyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone (PubChem CID 169284586) has the molecular formula C14H19ClN6O and a molecular weight of 322.80 g/mol. Its IUPAC name is [4-[(4-chlorotriazol-1-yl)methyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[(4-chlorotriazol-1-yl)methyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
PubChem CID169284586
Molecular FormulaC14H19ClN6O
Molecular Weight322.80 g/mol
Exact Mass322.13
IUPAC Name[4-[(4-chlorotriazol-1-yl)methyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(Cn3cc(Cl)nn3)CC2)nn1C
InChIInChI=1S/C14H19ClN6O/c1-10-7-12(17-19(10)2)14(22)20-5-3-11(4-6-20)8-21-9-13(15)16-18-21/h7,9,11H,3-6,8H2,1-2H3
InChIKeyCIMONTYMOXHPIC-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[(4-chlorotriazol-1-yl)methyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-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

Related Compounds

(1,5-dimethylpyrazol-3-yl)-[4-[(4-phenyltriazol-1-yl)methyl]piperidin-1-yl]methanone
CID 169284619
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646076
methyl 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetate
CID 169284591
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646075
3-[[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941103
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777
(3-chloropyrrolidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 130485656
6-tert-butyl-2-[[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862256
[4-(2-bromoethoxy)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 114219198
[4-(1-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;hydrochloride
CID 119518635
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 19473137
(1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 11344828

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorotriazol-1-yl)methyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of [4-[(4-chlorotriazol-1-yl)methyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone (CID 169284586) is [4-[(4-chlorotriazol-1-yl)methyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-[(4-chlorotriazol-1-yl)methyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for [4-[(4-chlorotriazol-1-yl)methyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCC(Cn3cc(Cl)nn3)CC2)nn1C.
What is the InChIKey of [4-[(4-chlorotriazol-1-yl)methyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is CIMONTYMOXHPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6O/c1-10-7-12(17-19(10)2)14(22)20-5-3-11(4-6-20)8-21-9-13(15)16-18-21/h7,9,11H,3-6,8H2,1-2H3.
What are the key properties of [4-[(4-chlorotriazol-1-yl)methyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone?
[4-[(4-chlorotriazol-1-yl)methyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 322.80 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorotriazol-1-yl)methyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 169284586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).