N-[[1-(1-methylpyrazol-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine

C17H22N4 — CID 118290486

IUPACN-[[1-(1-methylpyrazol-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine
SMILESCn1cc(N2CC(CNC3CC3c3ccccc3)C2)cn1
InChIInChI=1S/C17H22N4/c1-20-12-15(9-19-20)21-10-13(11-21)8-18-17-7-16(17)14-5-3-2-4-6-14/h2-6,9,12-13,16-18H,7-8,10-11H2,1H3
InChIKeyMEFXHLDRTYEDTH-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.00
Rot. Bonds5

About N-[[1-(1-methylpyrazol-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine

N-[[1-(1-methylpyrazol-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine (PubChem CID 118290486) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[[1-(1-methylpyrazol-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[[1-(1-methylpyrazol-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine
PubChem CID118290486
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-[[1-(1-methylpyrazol-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine
SMILESCn1cc(N2CC(CNC3CC3c3ccccc3)C2)cn1
InChIInChI=1S/C17H22N4/c1-20-12-15(9-19-20)21-10-13(11-21)8-18-17-7-16(17)14-5-3-2-4-6-14/h2-6,9,12-13,16-18H,7-8,10-11H2,1H3
InChIKeyMEFXHLDRTYEDTH-UHFFFAOYSA-N
XLogP2.00
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Fluoro-benzyl)-1H-pyrazol-4-ylamine
CID 4362222
1-benzyl-1H-pyrazol-4-amine
CID 206694
1-((4-Fluorophenyl)methyl)-1H-pyrazol-4-amine
CID 573282
Pyrazole, 1-benzyl-4-(methylamino)-
CID 206698
1-Methyl-N-(2-phenylethyl)-1H-pyrazole-3-methanamine
CID 7017351
US9994546, Example 98
CID 118297939
US10155727, Example 69
CID 137796701
Pyrazole, 1-benzyl-4-(dimethylamino)-
CID 206687
Pyrazole, 4-(dimethylamino)-1-phenethyl-
CID 206688
Pyrazole, 1-benzyl-4-(diethylamino)-
CID 206690
1H-Pyrazol-4-amine, 1-(2-phenylethyl)-, hydrochloride (1:?)
CID 206695
Pyrazole, 1-benzyl-4-(ethylamino)-
CID 206699

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methylpyrazol-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of N-[[1-(1-methylpyrazol-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine (CID 118290486) is N-[[1-(1-methylpyrazol-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for N-[[1-(1-methylpyrazol-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for N-[[1-(1-methylpyrazol-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine is Cn1cc(N2CC(CNC3CC3c3ccccc3)C2)cn1.
What is the InChIKey of N-[[1-(1-methylpyrazol-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is MEFXHLDRTYEDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-20-12-15(9-19-20)21-10-13(11-21)8-18-17-7-16(17)14-5-3-2-4-6-14/h2-6,9,12-13,16-18H,7-8,10-11H2,1H3.
What are the key properties of N-[[1-(1-methylpyrazol-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine?
N-[[1-(1-methylpyrazol-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 282.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methylpyrazol-4-yl)azetidin-3-yl]methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 118290486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).