N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;hydrochloride

C23H33ClN4O2 — CID 120891092

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2nn(-c3ccc(C)cc3)c3c2CCCC3)CCNCC1.Cl
InChIInChI=1S/C23H32N4O2.ClH/c1-17-7-9-18(10-8-17)27-20-6-4-3-5-19(20)21(26-27)22(28)25-15-23(16-29-2)11-13-24-14-12-23;/h7-10,24H,3-6,11-16H2,1-2H3,(H,25,28);1H
InChIKeySMFPLSQVWAMJEG-UHFFFAOYSA-N
MW433.00 g/mol
LogP3.23
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;hydrochloride (PubChem CID 120891092) has the molecular formula C23H33ClN4O2 and a molecular weight of 433.00 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;hydrochloride
PubChem CID120891092
Molecular FormulaC23H33ClN4O2
Molecular Weight433.00 g/mol
Exact Mass432.23
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2nn(-c3ccc(C)cc3)c3c2CCCC3)CCNCC1.Cl
InChIInChI=1S/C23H32N4O2.ClH/c1-17-7-9-18(10-8-17)27-20-6-4-3-5-19(20)21(26-27)22(28)25-15-23(16-29-2)11-13-24-14-12-23;/h7-10,24H,3-6,11-16H2,1-2H3,(H,25,28);1H
InChIKeySMFPLSQVWAMJEG-UHFFFAOYSA-N
XLogP3.23
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.00
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;hydrochloride 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

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 120891073
1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;hydrochloride
CID 119463358
N-[2-(methylamino)ethyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 119503192
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 120948518
3-[[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]propanoic acid
CID 119351217
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42492084
N-(2-anilino-2-oxoethyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55957907
5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 120892061
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55598782
2-(2,6-dimethylanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;dihydrochloride
CID 120890666
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;hydrochloride (CID 120891092) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;hydrochloride is COCC1(CNC(=O)c2nn(-c3ccc(C)cc3)c3c2CCCC3)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;hydrochloride?
The InChIKey is SMFPLSQVWAMJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2.ClH/c1-17-7-9-18(10-8-17)27-20-6-4-3-5-19(20)21(26-27)22(28)25-15-23(16-29-2)11-13-24-14-12-23;/h7-10,24H,3-6,11-16H2,1-2H3,(H,25,28);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;hydrochloride has a molecular weight of 433.00 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120891092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).