1-phenyl-N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]methanamine

C17H17N3 — CID 10539500

IUPAC1-phenyl-N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]methanamine
SMILESc1ccc(CNCc2cccc(-c3ccn[nH]3)c2)cc1
InChIInChI=1S/C17H17N3/c1-2-5-14(6-3-1)12-18-13-15-7-4-8-16(11-15)17-9-10-19-20-17/h1-11,18H,12-13H2,(H,19,20)
InChIKeyQXHQXPBXGREIIR-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.37
Rot. Bonds5

About 1-phenyl-N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]methanamine

1-phenyl-N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]methanamine (PubChem CID 10539500) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-phenyl-N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-phenyl-N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]methanamine
PubChem CID10539500
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name1-phenyl-N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]methanamine
SMILESc1ccc(CNCc2cccc(-c3ccn[nH]3)c2)cc1
InChIInChI=1S/C17H17N3/c1-2-5-14(6-3-1)12-18-13-15-7-4-8-16(11-15)17-9-10-19-20-17/h1-11,18H,12-13H2,(H,19,20)
InChIKeyQXHQXPBXGREIIR-UHFFFAOYSA-N
XLogP3.37
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]methyl]ethanamine;2,2,2-trifluoroacetic acid
CID 154891054
N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 66854704
ethane;5-[3-(methoxymethyl)phenyl]-1H-pyrazole
CID 163266612
2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]aniline
CID 66418255
2-amino-3-[3-(1H-pyrazol-5-yl)phenyl]propanoic acid;hydrochloride
CID 135330870
5-[3-(prop-2-enoxymethyl)phenyl]-1H-pyrazole
CID 89362436
N-[[3-(2-methyltetrazol-5-yl)phenyl]methyl]-1-phenylmethanamine
CID 67698857
N-[(4-methylsulfanylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745309
N-[(3-bromophenyl)methyl]-4-(1H-pyrazol-5-yl)aniline
CID 43733262
[3-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methanol;hydrochloride
CID 115615868
1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 60969581
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]methanamine?
The IUPAC name of 1-phenyl-N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]methanamine (CID 10539500) is 1-phenyl-N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-phenyl-N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]methanamine?
The canonical SMILES for 1-phenyl-N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]methanamine is c1ccc(CNCc2cccc(-c3ccn[nH]3)c2)cc1.
What is the InChIKey of 1-phenyl-N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]methanamine?
The InChIKey is QXHQXPBXGREIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-2-5-14(6-3-1)12-18-13-15-7-4-8-16(11-15)17-9-10-19-20-17/h1-11,18H,12-13H2,(H,19,20).
What are the key properties of 1-phenyl-N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]methanamine?
1-phenyl-N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]methanamine has a molecular weight of 263.34 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]methanamine is sourced from PubChem (CID 10539500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).