N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-piperidin-1-ylphenyl)methanamine

C18H26N4 — CID 51599989

IUPACN-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-piperidin-1-ylphenyl)methanamine
SMILESCc1cc(CN(C)Cc2ccccc2N2CCCCC2)n[nH]1
InChIInChI=1S/C18H26N4/c1-15-12-17(20-19-15)14-21(2)13-16-8-4-5-9-18(16)22-10-6-3-7-11-22/h4-5,8-9,12H,3,6-7,10-11,13-14H2,1-2H3,(H,19,20)
InChIKeyNNQLXVDDLFBZGL-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.34
Rot. Bonds5

About N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-piperidin-1-ylphenyl)methanamine

N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-piperidin-1-ylphenyl)methanamine (PubChem CID 51599989) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-piperidin-1-ylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-piperidin-1-ylphenyl)methanamine
PubChem CID51599989
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC NameN-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-piperidin-1-ylphenyl)methanamine
SMILESCc1cc(CN(C)Cc2ccccc2N2CCCCC2)n[nH]1
InChIInChI=1S/C18H26N4/c1-15-12-17(20-19-15)14-21(2)13-16-8-4-5-9-18(16)22-10-6-3-7-11-22/h4-5,8-9,12H,3,6-7,10-11,13-14H2,1-2H3,(H,19,20)
InChIKeyNNQLXVDDLFBZGL-UHFFFAOYSA-N
XLogP3.34
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-piperidin-1-ylphenyl)methanamine 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-(3-chlorophenyl)-4-(2-(5-methyl-1H-pyrazol-3-yl)ethyl)piperazine
CID 71897
3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-1H-indazole
CID 9996081
Sant-1
CID 6878030
N-(2-(4-Phenylpiperazin-1-yl)ethyl)-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 24866288
Tolpiprazole
CID 3084338
1-(4-fluorophenyl)-4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812412
1-Benzyl-4-(5-phenyl-1H-pyrazol-3-yl)-piperidine
CID 10615437
N-(1-isobutylpiperidin-3-yl)-1H-indazol-5-amine
CID 17838157
N-(1-ethylpiperidin-3-yl)-1H-indazol-5-amine
CID 17838266
5-(2-propylpiperazin-1-yl)-1H-indazole
CID 44188689
(R)-5-(2-propylpiperazin-1-yl)-1H-indazole
CID 44188690
(S)-5-(2-propylpiperazin-1-yl)-1H-indazole
CID 44188691

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-piperidin-1-ylphenyl)methanamine?
The IUPAC name of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-piperidin-1-ylphenyl)methanamine (CID 51599989) is N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-piperidin-1-ylphenyl)methanamine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-piperidin-1-ylphenyl)methanamine?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-piperidin-1-ylphenyl)methanamine is Cc1cc(CN(C)Cc2ccccc2N2CCCCC2)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-piperidin-1-ylphenyl)methanamine?
The InChIKey is NNQLXVDDLFBZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-15-12-17(20-19-15)14-21(2)13-16-8-4-5-9-18(16)22-10-6-3-7-11-22/h4-5,8-9,12H,3,6-7,10-11,13-14H2,1-2H3,(H,19,20).
What are the key properties of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-piperidin-1-ylphenyl)methanamine?
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-piperidin-1-ylphenyl)methanamine has a molecular weight of 298.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-piperidin-1-ylphenyl)methanamine is sourced from PubChem (CID 51599989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).