(4-phenylmethoxy-2-pyrazol-1-ylphenyl)methanamine

C17H17N3O — CID 163403695

IUPAC(4-phenylmethoxy-2-pyrazol-1-ylphenyl)methanamine
SMILESNCc1ccc(OCc2ccccc2)cc1-n1cccn1
InChIInChI=1S/C17H17N3O/c18-12-15-7-8-16(11-17(15)20-10-4-9-19-20)21-13-14-5-2-1-3-6-14/h1-11H,12-13,18H2
InChIKeyNLVIOOLTWVGHDG-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.91
Rot. Bonds5

About (4-phenylmethoxy-2-pyrazol-1-ylphenyl)methanamine

(4-phenylmethoxy-2-pyrazol-1-ylphenyl)methanamine (PubChem CID 163403695) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is (4-phenylmethoxy-2-pyrazol-1-ylphenyl)methanamine.

Molecular Properties

Compound Name(4-phenylmethoxy-2-pyrazol-1-ylphenyl)methanamine
PubChem CID163403695
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name(4-phenylmethoxy-2-pyrazol-1-ylphenyl)methanamine
SMILESNCc1ccc(OCc2ccccc2)cc1-n1cccn1
InChIInChI=1S/C17H17N3O/c18-12-15-7-8-16(11-17(15)20-10-4-9-19-20)21-13-14-5-2-1-3-6-14/h1-11H,12-13,18H2
InChIKeyNLVIOOLTWVGHDG-UHFFFAOYSA-N
XLogP2.91
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-4-phenylmethoxyaniline
CID 156839624
[2-(3-phenylmethoxyphenyl)-3-pyridinyl]methanamine
CID 22663707
5-phenylmethoxy-2-pyrrol-1-ylaniline
CID 10587700
[4-[(4-pyrazol-1-ylphenoxy)methyl]phenyl]methanol
CID 110006014
[4-(4-phenylmethoxyphenoxy)-2-pyridinyl]methanamine
CID 69017208
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
CID 101273679
[4-(4-phenylmethoxyphenoxy)phenyl]methanamine
CID 139985270
[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 69143790
2-ethyl-4-phenylmethoxypyridine
CID 130153338
6-phenylmethoxyisoquinolin-3-amine
CID 71742578
2-[2-[(4-pyrazol-1-ylphenyl)methoxy]phenyl]acetamide
CID 75390964
1-amino-4-(2-methyl-4-phenylmethoxyphenyl)butan-2-ol
CID 83937170

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxy-2-pyrazol-1-ylphenyl)methanamine?
The IUPAC name of (4-phenylmethoxy-2-pyrazol-1-ylphenyl)methanamine (CID 163403695) is (4-phenylmethoxy-2-pyrazol-1-ylphenyl)methanamine.
What is the SMILES notation for (4-phenylmethoxy-2-pyrazol-1-ylphenyl)methanamine?
The canonical SMILES for (4-phenylmethoxy-2-pyrazol-1-ylphenyl)methanamine is NCc1ccc(OCc2ccccc2)cc1-n1cccn1.
What is the InChIKey of (4-phenylmethoxy-2-pyrazol-1-ylphenyl)methanamine?
The InChIKey is NLVIOOLTWVGHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-12-15-7-8-16(11-17(15)20-10-4-9-19-20)21-13-14-5-2-1-3-6-14/h1-11H,12-13,18H2.
What are the key properties of (4-phenylmethoxy-2-pyrazol-1-ylphenyl)methanamine?
(4-phenylmethoxy-2-pyrazol-1-ylphenyl)methanamine has a molecular weight of 279.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxy-2-pyrazol-1-ylphenyl)methanamine is sourced from PubChem (CID 163403695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).