(4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

C16H24ClN7O — CID 70770436

IUPAC(4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCN(C)Cc1nnc(C2CCN(C(=O)c3c(Cl)cnn3C)CC2)n1C
InChIInChI=1S/C16H24ClN7O/c1-21(2)10-13-19-20-15(22(13)3)11-5-7-24(8-6-11)16(25)14-12(17)9-18-23(14)4/h9,11H,5-8,10H2,1-4H3
InChIKeyHOWDNPMGYNZXCQ-UHFFFAOYSA-N
MW365.87 g/mol
LogP1.28
Rot. Bonds4

About (4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

(4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 70770436) has the molecular formula C16H24ClN7O and a molecular weight of 365.87 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID70770436
Molecular FormulaC16H24ClN7O
Molecular Weight365.87 g/mol
Exact Mass365.17
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCN(C)Cc1nnc(C2CCN(C(=O)c3c(Cl)cnn3C)CC2)n1C
InChIInChI=1S/C16H24ClN7O/c1-21(2)10-13-19-20-15(22(13)3)11-5-7-24(8-6-11)16(25)14-12(17)9-18-23(14)4/h9,11H,5-8,10H2,1-4H3
InChIKeyHOWDNPMGYNZXCQ-UHFFFAOYSA-N
XLogP1.28
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-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-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 70770436) is (4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is CN(C)Cc1nnc(C2CCN(C(=O)c3c(Cl)cnn3C)CC2)n1C.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is HOWDNPMGYNZXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN7O/c1-21(2)10-13-19-20-15(22(13)3)11-5-7-24(8-6-11)16(25)14-12(17)9-18-23(14)4/h9,11H,5-8,10H2,1-4H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
(4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 365.87 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70770436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).