N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine

C22H23N5O — CID 17446645

IUPACN-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
SMILESCOc1ccc(-c2[nH]ncc2CNCc2ccccc2Cn2cccn2)cc1
InChIInChI=1S/C22H23N5O/c1-28-21-9-7-17(8-10-21)22-20(15-24-26-22)14-23-13-18-5-2-3-6-19(18)16-27-12-4-11-25-27/h2-12,15,23H,13-14,16H2,1H3,(H,24,26)
InChIKeyDFYGWAWJLHNSDH-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.62
Rot. Bonds8

About N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine

N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine (PubChem CID 17446645) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
PubChem CID17446645
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
SMILESCOc1ccc(-c2[nH]ncc2CNCc2ccccc2Cn2cccn2)cc1
InChIInChI=1S/C22H23N5O/c1-28-21-9-7-17(8-10-21)22-20(15-24-26-22)14-23-13-18-5-2-3-6-19(18)16-27-12-4-11-25-27/h2-12,15,23H,13-14,16H2,1H3,(H,24,26)
InChIKeyDFYGWAWJLHNSDH-UHFFFAOYSA-N
XLogP3.62
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]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

2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 17450711
1-[4-(pyrazol-1-ylmethyl)phenyl]-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 86808450
(2R)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125442613
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 86913988
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111183196
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine;hydrochloride
CID 51114916
1-methoxy-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol
CID 111425263
5-(4-chlorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 16600513
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 94514892
1-[(3S)-1-ethylpyrrolidin-3-yl]-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 94194229
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine
CID 47030685
1-[3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propyl]piperidin-4-ol
CID 110929429

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine?
The IUPAC name of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine (CID 17446645) is N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine.
What is the SMILES notation for N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine?
The canonical SMILES for N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine is COc1ccc(-c2[nH]ncc2CNCc2ccccc2Cn2cccn2)cc1.
What is the InChIKey of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine?
The InChIKey is DFYGWAWJLHNSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-28-21-9-7-17(8-10-21)22-20(15-24-26-22)14-23-13-18-5-2-3-6-19(18)16-27-12-4-11-25-27/h2-12,15,23H,13-14,16H2,1H3,(H,24,26).
What are the key properties of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine?
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine has a molecular weight of 373.46 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 17446645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).