N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide;hydrochloride

C19H29ClN6O — CID 154903804

IUPACN-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide;hydrochloride
SMILESCN(Cc1n[nH]c2c1CCCC2)C(=O)Cn1ccc(C2CCCNC2)n1.Cl
InChIInChI=1S/C19H28N6O.ClH/c1-24(12-18-15-6-2-3-7-17(15)21-22-18)19(26)13-25-10-8-16(23-25)14-5-4-9-20-11-14;/h8,10,14,20H,2-7,9,11-13H2,1H3,(H,21,22);1H
InChIKeySDEZXRWNCPLVHZ-UHFFFAOYSA-N
MW392.94 g/mol
LogP2.03
Rot. Bonds5

About N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide;hydrochloride

N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide;hydrochloride (PubChem CID 154903804) has the molecular formula C19H29ClN6O and a molecular weight of 392.94 g/mol. Its IUPAC name is N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide;hydrochloride
PubChem CID154903804
Molecular FormulaC19H29ClN6O
Molecular Weight392.94 g/mol
Exact Mass392.21
IUPAC NameN-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide;hydrochloride
SMILESCN(Cc1n[nH]c2c1CCCC2)C(=O)Cn1ccc(C2CCCNC2)n1.Cl
InChIInChI=1S/C19H28N6O.ClH/c1-24(12-18-15-6-2-3-7-17(15)21-22-18)19(26)13-25-10-8-16(23-25)14-5-4-9-20-11-14;/h8,10,14,20H,2-7,9,11-13H2,1H3,(H,21,22);1H
InChIKeySDEZXRWNCPLVHZ-UHFFFAOYSA-N
XLogP2.03
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.94
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide;hydrochloride 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 N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide;hydrochloride?
The IUPAC name of N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide;hydrochloride (CID 154903804) is N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide;hydrochloride is CN(Cc1n[nH]c2c1CCCC2)C(=O)Cn1ccc(C2CCCNC2)n1.Cl.
What is the InChIKey of N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide;hydrochloride?
The InChIKey is SDEZXRWNCPLVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O.ClH/c1-24(12-18-15-6-2-3-7-17(15)21-22-18)19(26)13-25-10-8-16(23-25)14-5-4-9-20-11-14;/h8,10,14,20H,2-7,9,11-13H2,1H3,(H,21,22);1H.
What are the key properties of N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide;hydrochloride?
N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide;hydrochloride has a molecular weight of 392.94 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 154903804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).