N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine

C20H21N5O — CID 42094203

IUPACN-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine
SMILESCOc1ccc2cc(-c3[nH]ncc3CN(C)Cc3ccn[nH]3)ccc2c1
InChIInChI=1S/C20H21N5O/c1-25(13-18-7-8-21-23-18)12-17-11-22-24-20(17)16-4-3-15-10-19(26-2)6-5-14(15)9-16/h3-11H,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyQVVPTAXZYZUIOU-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.59
Rot. Bonds6

About N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine

N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine (PubChem CID 42094203) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine
PubChem CID42094203
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine
SMILESCOc1ccc2cc(-c3[nH]ncc3CN(C)Cc3ccn[nH]3)ccc2c1
InChIInChI=1S/C20H21N5O/c1-25(13-18-7-8-21-23-18)12-17-11-22-24-20(17)16-4-3-15-10-19(26-2)6-5-14(15)9-16/h3-11H,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyQVVPTAXZYZUIOU-UHFFFAOYSA-N
XLogP3.59
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]-1-phenylethanol
CID 45197233
N-(2-methoxyethyl)-N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 23724027
4-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]pyridine
CID 25286681
N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylcyclopropan-1-amine
CID 42098289
N'-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303532
1-(1,3-dimethylpyrazol-4-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylmethanamine
CID 42527594
2-[(2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
CID 42193708
1-(6-methoxynaphthalen-2-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285857
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine
CID 46993702
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine
CID 79487408
6-methoxy-3-(1H-pyrazol-5-yl)quinoline
CID 50962357
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 86913988

Frequently Asked Questions

What is the IUPAC name of N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine?
The IUPAC name of N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine (CID 42094203) is N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine?
The canonical SMILES for N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine is COc1ccc2cc(-c3[nH]ncc3CN(C)Cc3ccn[nH]3)ccc2c1.
What is the InChIKey of N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine?
The InChIKey is QVVPTAXZYZUIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-25(13-18-7-8-21-23-18)12-17-11-22-24-20(17)16-4-3-15-10-19(26-2)6-5-14(15)9-16/h3-11H,12-13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine?
N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine has a molecular weight of 347.42 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 42094203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).