N-[[3-(2-phenylmethoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine

C19H21N3O — CID 54847351

IUPACN-[[3-(2-phenylmethoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine
SMILESCCNCc1cc(-c2ccccc2OCc2ccccc2)n[nH]1
InChIInChI=1S/C19H21N3O/c1-2-20-13-16-12-18(22-21-16)17-10-6-7-11-19(17)23-14-15-8-4-3-5-9-15/h3-12,20H,2,13-14H2,1H3,(H,21,22)
InChIKeyWZWHKRBFXPKHKE-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.77
Rot. Bonds7

About N-[[3-(2-phenylmethoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine

N-[[3-(2-phenylmethoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine (PubChem CID 54847351) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[[3-(2-phenylmethoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-phenylmethoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine
PubChem CID54847351
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[[3-(2-phenylmethoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine
SMILESCCNCc1cc(-c2ccccc2OCc2ccccc2)n[nH]1
InChIInChI=1S/C19H21N3O/c1-2-20-13-16-12-18(22-21-16)17-10-6-7-11-19(17)23-14-15-8-4-3-5-9-15/h3-12,20H,2,13-14H2,1H3,(H,21,22)
InChIKeyWZWHKRBFXPKHKE-UHFFFAOYSA-N
XLogP3.77
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 54847214
N-methyl-1-[3-(2-pentoxyphenyl)-1H-pyrazol-5-yl]methanamine
CID 54847408
5-(ethylaminomethyl)-3-(2-propoxyphenyl)-1H-pyridazin-6-one
CID 82445862
N-[[3-(2,5-difluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 62112347
[3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methanol
CID 54847198
N-[[2,4-bis(phenylmethoxy)phenyl]methyl]ethanamine
CID 129259495
1-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]propan-2-imine
CID 58282933
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
N-[[3-[(2-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62452902
4-(5-methyl-1H-pyrazol-4-yl)-6-(2-phenylmethoxyphenyl)pyridazin-3-amine
CID 170625032
N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62454422
4-(2-phenylmethoxyphenyl)triazine
CID 129278501

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-phenylmethoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-phenylmethoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine (CID 54847351) is N-[[3-(2-phenylmethoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-phenylmethoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-phenylmethoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine is CCNCc1cc(-c2ccccc2OCc2ccccc2)n[nH]1.
What is the InChIKey of N-[[3-(2-phenylmethoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine?
The InChIKey is WZWHKRBFXPKHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-2-20-13-16-12-18(22-21-16)17-10-6-7-11-19(17)23-14-15-8-4-3-5-9-15/h3-12,20H,2,13-14H2,1H3,(H,21,22).
What are the key properties of N-[[3-(2-phenylmethoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine?
N-[[3-(2-phenylmethoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine has a molecular weight of 307.40 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-phenylmethoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 54847351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).