N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine

C13H15N3 — CID 106935175

IUPACN-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
SMILESC=Cn1cc(CNCc2ccccc2)cn1
InChIInChI=1S/C13H15N3/c1-2-16-11-13(10-15-16)9-14-8-12-6-4-3-5-7-12/h2-7,10-11,14H,1,8-9H2
InChIKeyAQFMERPJHFWHEK-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.27
Rot. Bonds5

About N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine

N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine (PubChem CID 106935175) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
PubChem CID106935175
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
SMILESC=Cn1cc(CNCc2ccccc2)cn1
InChIInChI=1S/C13H15N3/c1-2-16-11-13(10-15-16)9-14-8-12-6-4-3-5-7-12/h2-7,10-11,14H,1,8-9H2
InChIKeyAQFMERPJHFWHEK-UHFFFAOYSA-N
XLogP2.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethenylpyrazol-4-yl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 106936572
N-[(1-ethenylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 106936577
N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine
CID 106937175
N-[(1-ethenylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 106937029
2-bromo-N-[(1-ethenylpyrazol-4-yl)methyl]aniline
CID 106935327
N-[(1-ethenylpyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine
CID 106935124
N-[(1-ethenylpyrazol-4-yl)methyl]naphthalen-1-amine
CID 106935180
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764
1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 106936170
1-(1-ethenylpyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 106936882
2-(4-chlorophenyl)-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
CID 106935437
4-[(1-ethenylpyrazol-4-yl)methylamino]butanoic acid
CID 106936422

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine (CID 106935175) is N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine is C=Cn1cc(CNCc2ccccc2)cn1.
What is the InChIKey of N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine?
The InChIKey is AQFMERPJHFWHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-16-11-13(10-15-16)9-14-8-12-6-4-3-5-7-12/h2-7,10-11,14H,1,8-9H2.
What are the key properties of N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine?
N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine has a molecular weight of 213.28 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 106935175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).