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

C16H19N3 — CID 106936170

IUPAC1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
SMILESC=Cn1cc(CNC(c2ccccc2)C2CC2)cn1
InChIInChI=1S/C16H19N3/c1-2-19-12-13(11-18-19)10-17-16(15-8-9-15)14-6-4-3-5-7-14/h2-7,11-12,15-17H,1,8-10H2
InChIKeyWVCWGDGDHHXPQJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.22
Rot. Bonds6

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

1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine (PubChem CID 106936170) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
PubChem CID106936170
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
SMILESC=Cn1cc(CNC(c2ccccc2)C2CC2)cn1
InChIInChI=1S/C16H19N3/c1-2-19-12-13(11-18-19)10-17-16(15-8-9-15)14-6-4-3-5-7-14/h2-7,11-12,15-17H,1,8-10H2
InChIKeyWVCWGDGDHHXPQJ-UHFFFAOYSA-N
XLogP3.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]-1-phenylmethanamine
CID 124627180
1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-2-amine
CID 106936896
N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 106935175
2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
CID 106936989
(1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 106937098
1-cyclopropyl-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylmethanamine
CID 61311987
tert-butyl N-[2-cyclopropyl-2-[(1-ethenylpyrazol-4-yl)methylamino]ethyl]carbamate
CID 107094759
3-[(1-ethenylpyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoic acid
CID 106936202
N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine
CID 106937175
N-[(1-ethenylpyrazol-4-yl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 106936572
N-[(1-ethenylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 106937029
2-N-[(1-ethenylpyrazol-4-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 106937204

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine?
The IUPAC name of 1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine (CID 106936170) is 1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for 1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine is C=Cn1cc(CNC(c2ccccc2)C2CC2)cn1.
What is the InChIKey of 1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine?
The InChIKey is WVCWGDGDHHXPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-19-12-13(11-18-19)10-17-16(15-8-9-15)14-6-4-3-5-7-14/h2-7,11-12,15-17H,1,8-10H2.
What are the key properties of 1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine?
1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine has a molecular weight of 253.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 106936170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).