[3-(3,3-dipropylazetidin-1-yl)-1-methylpyrazol-4-yl]methanamine

C14H26N4 — CID 113430334

IUPAC[3-(3,3-dipropylazetidin-1-yl)-1-methylpyrazol-4-yl]methanamine
SMILESCCCC1(CCC)CN(c2nn(C)cc2CN)C1
InChIInChI=1S/C14H26N4/c1-4-6-14(7-5-2)10-18(11-14)13-12(8-15)9-17(3)16-13/h9H,4-8,10-11,15H2,1-3H3
InChIKeyYZWOWJALVLAWQI-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.29
Rot. Bonds6

About [3-(3,3-dipropylazetidin-1-yl)-1-methylpyrazol-4-yl]methanamine

[3-(3,3-dipropylazetidin-1-yl)-1-methylpyrazol-4-yl]methanamine (PubChem CID 113430334) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is [3-(3,3-dipropylazetidin-1-yl)-1-methylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(3,3-dipropylazetidin-1-yl)-1-methylpyrazol-4-yl]methanamine
PubChem CID113430334
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name[3-(3,3-dipropylazetidin-1-yl)-1-methylpyrazol-4-yl]methanamine
SMILESCCCC1(CCC)CN(c2nn(C)cc2CN)C1
InChIInChI=1S/C14H26N4/c1-4-6-14(7-5-2)10-18(11-14)13-12(8-15)9-17(3)16-13/h9H,4-8,10-11,15H2,1-3H3
InChIKeyYZWOWJALVLAWQI-UHFFFAOYSA-N
XLogP2.29
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3,3-dipropylazetidin-1-yl)-1-methylpyrazol-4-yl]methanamine?
The IUPAC name of [3-(3,3-dipropylazetidin-1-yl)-1-methylpyrazol-4-yl]methanamine (CID 113430334) is [3-(3,3-dipropylazetidin-1-yl)-1-methylpyrazol-4-yl]methanamine.
What is the SMILES notation for [3-(3,3-dipropylazetidin-1-yl)-1-methylpyrazol-4-yl]methanamine?
The canonical SMILES for [3-(3,3-dipropylazetidin-1-yl)-1-methylpyrazol-4-yl]methanamine is CCCC1(CCC)CN(c2nn(C)cc2CN)C1.
What is the InChIKey of [3-(3,3-dipropylazetidin-1-yl)-1-methylpyrazol-4-yl]methanamine?
The InChIKey is YZWOWJALVLAWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-6-14(7-5-2)10-18(11-14)13-12(8-15)9-17(3)16-13/h9H,4-8,10-11,15H2,1-3H3.
What are the key properties of [3-(3,3-dipropylazetidin-1-yl)-1-methylpyrazol-4-yl]methanamine?
[3-(3,3-dipropylazetidin-1-yl)-1-methylpyrazol-4-yl]methanamine has a molecular weight of 250.39 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,3-dipropylazetidin-1-yl)-1-methylpyrazol-4-yl]methanamine is sourced from PubChem (CID 113430334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).