N-[[1-(azetidin-3-yl)pyrazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine

C20H26N4 — CID 138677759

IUPACN-[[1-(azetidin-3-yl)pyrazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine
SMILESCC/C(=C\c1ccccc1)C1CC1NCc1cnn(C2CNC2)c1
InChIInChI=1S/C20H26N4/c1-2-17(8-15-6-4-3-5-7-15)19-9-20(19)22-10-16-11-23-24(14-16)18-12-21-13-18/h3-8,11,14,18-22H,2,9-10,12-13H2,1H3/b17-8+
InChIKeyCUNZFCGVKXEVDE-CAOOACKPSA-N
MW322.46 g/mol
LogP3.00
Rot. Bonds7

About N-[[1-(azetidin-3-yl)pyrazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine

N-[[1-(azetidin-3-yl)pyrazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine (PubChem CID 138677759) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-[[1-(azetidin-3-yl)pyrazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound NameN-[[1-(azetidin-3-yl)pyrazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine
PubChem CID138677759
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC NameN-[[1-(azetidin-3-yl)pyrazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine
SMILESCC/C(=C\c1ccccc1)C1CC1NCc1cnn(C2CNC2)c1
InChIInChI=1S/C20H26N4/c1-2-17(8-15-6-4-3-5-7-15)19-9-20(19)22-10-16-11-23-24(14-16)18-12-21-13-18/h3-8,11,14,18-22H,2,9-10,12-13H2,1H3/b17-8+
InChIKeyCUNZFCGVKXEVDE-CAOOACKPSA-N
XLogP3.00
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(azetidin-3-yl)pyrazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine?
The IUPAC name of N-[[1-(azetidin-3-yl)pyrazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine (CID 138677759) is N-[[1-(azetidin-3-yl)pyrazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine.
What is the SMILES notation for N-[[1-(azetidin-3-yl)pyrazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine?
The canonical SMILES for N-[[1-(azetidin-3-yl)pyrazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine is CC/C(=C\c1ccccc1)C1CC1NCc1cnn(C2CNC2)c1.
What is the InChIKey of N-[[1-(azetidin-3-yl)pyrazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine?
The InChIKey is CUNZFCGVKXEVDE-CAOOACKPSA-N. The full InChI is InChI=1S/C20H26N4/c1-2-17(8-15-6-4-3-5-7-15)19-9-20(19)22-10-16-11-23-24(14-16)18-12-21-13-18/h3-8,11,14,18-22H,2,9-10,12-13H2,1H3/b17-8+.
What are the key properties of N-[[1-(azetidin-3-yl)pyrazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine?
N-[[1-(azetidin-3-yl)pyrazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine has a molecular weight of 322.46 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(azetidin-3-yl)pyrazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 138677759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).