[5-methyl-3-[2-(2-phenylethoxy)phenyl]-1H-pyrazol-4-yl]methanamine

C19H21N3O — CID 54850620

IUPAC[5-methyl-3-[2-(2-phenylethoxy)phenyl]-1H-pyrazol-4-yl]methanamine
SMILESCc1[nH]nc(-c2ccccc2OCCc2ccccc2)c1CN
InChIInChI=1S/C19H21N3O/c1-14-17(13-20)19(22-21-14)16-9-5-6-10-18(16)23-12-11-15-7-3-2-4-8-15/h2-10H,11-13,20H2,1H3,(H,21,22)
InChIKeyAKEOZOCCAYOZDW-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.47
Rot. Bonds6

About [5-methyl-3-[2-(2-phenylethoxy)phenyl]-1H-pyrazol-4-yl]methanamine

[5-methyl-3-[2-(2-phenylethoxy)phenyl]-1H-pyrazol-4-yl]methanamine (PubChem CID 54850620) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is [5-methyl-3-[2-(2-phenylethoxy)phenyl]-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-3-[2-(2-phenylethoxy)phenyl]-1H-pyrazol-4-yl]methanamine
PubChem CID54850620
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name[5-methyl-3-[2-(2-phenylethoxy)phenyl]-1H-pyrazol-4-yl]methanamine
SMILESCc1[nH]nc(-c2ccccc2OCCc2ccccc2)c1CN
InChIInChI=1S/C19H21N3O/c1-14-17(13-20)19(22-21-14)16-9-5-6-10-18(16)23-12-11-15-7-3-2-4-8-15/h2-10H,11-13,20H2,1H3,(H,21,22)
InChIKeyAKEOZOCCAYOZDW-UHFFFAOYSA-N
XLogP3.47
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-phenylethoxy)phenyl]pyridine
CID 102434679
3,5-dimethyl-4-[2-(2-methylphenoxy)ethyl]-1H-pyrazole
CID 879148
[3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 82474858
5-methyl-3-(2-pentoxyphenyl)-1H-pyrazole-4-carbohydrazide
CID 54851417
[3-[(2-methoxyphenoxy)methyl]-5-methyl-1H-pyrazol-4-yl]methanamine
CID 54850918
3-(2-methylphenyl)-4-(2-phenylethoxy)pyridine
CID 141329320
3-(2-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide
CID 54851501
[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 54851145
[6-methoxy-3-(2-phenylethoxy)-2-pyridinyl]methanamine
CID 118905552
2-[3-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethoxy]phenyl]phenoxy]-N,N-dimethylethanamine
CID 171833567
[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methanamine
CID 28967110
4-[4-(2-methoxyphenoxy)butyl]-3,5-dimethyl-1H-pyrazole;hydrochloride
CID 163332795

Frequently Asked Questions

What is the IUPAC name of [5-methyl-3-[2-(2-phenylethoxy)phenyl]-1H-pyrazol-4-yl]methanamine?
The IUPAC name of [5-methyl-3-[2-(2-phenylethoxy)phenyl]-1H-pyrazol-4-yl]methanamine (CID 54850620) is [5-methyl-3-[2-(2-phenylethoxy)phenyl]-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for [5-methyl-3-[2-(2-phenylethoxy)phenyl]-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for [5-methyl-3-[2-(2-phenylethoxy)phenyl]-1H-pyrazol-4-yl]methanamine is Cc1[nH]nc(-c2ccccc2OCCc2ccccc2)c1CN.
What is the InChIKey of [5-methyl-3-[2-(2-phenylethoxy)phenyl]-1H-pyrazol-4-yl]methanamine?
The InChIKey is AKEOZOCCAYOZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14-17(13-20)19(22-21-14)16-9-5-6-10-18(16)23-12-11-15-7-3-2-4-8-15/h2-10H,11-13,20H2,1H3,(H,21,22).
What are the key properties of [5-methyl-3-[2-(2-phenylethoxy)phenyl]-1H-pyrazol-4-yl]methanamine?
[5-methyl-3-[2-(2-phenylethoxy)phenyl]-1H-pyrazol-4-yl]methanamine has a molecular weight of 307.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-[2-(2-phenylethoxy)phenyl]-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 54850620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).