(2-methyloxolan-3-yl)-(1-propylpyrazol-4-yl)methanamine

C12H21N3O — CID 115808146

IUPAC(2-methyloxolan-3-yl)-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(N)C2CCOC2C)cn1
InChIInChI=1S/C12H21N3O/c1-3-5-15-8-10(7-14-15)12(13)11-4-6-16-9(11)2/h7-9,11-12H,3-6,13H2,1-2H3
InChIKeyKZYNRGKFXMPDNG-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.72
Rot. Bonds4

About (2-methyloxolan-3-yl)-(1-propylpyrazol-4-yl)methanamine

(2-methyloxolan-3-yl)-(1-propylpyrazol-4-yl)methanamine (PubChem CID 115808146) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (2-methyloxolan-3-yl)-(1-propylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-methyloxolan-3-yl)-(1-propylpyrazol-4-yl)methanamine
PubChem CID115808146
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(2-methyloxolan-3-yl)-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(N)C2CCOC2C)cn1
InChIInChI=1S/C12H21N3O/c1-3-5-15-8-10(7-14-15)12(13)11-4-6-16-9(11)2/h7-9,11-12H,3-6,13H2,1-2H3
InChIKeyKZYNRGKFXMPDNG-UHFFFAOYSA-N
XLogP1.72
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-2-yl-(1-propylpyrazol-4-yl)methanamine
CID 65331147
(1-propylpyrazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105103841
(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanamine
CID 105038890
6-bicyclo[3.1.0]hexanyl-(1-propylpyrazol-4-yl)methanamine
CID 115807334
(1,1-dioxothiolan-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 115336541
2-(oxolan-3-yl)-1-(1-propylpyrazol-4-yl)ethanamine
CID 103986856
oxolan-3-yl-(1-propylpyrazol-4-yl)methanol
CID 63893224
(3,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine
CID 115797335
1-oxaspiro[5.5]undecan-4-yl-(1-propylpyrazol-4-yl)methanol
CID 103572574
cycloheptyl-(1-propylpyrazol-4-yl)methanol
CID 65398920
(1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105103598
(3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
CID 103572566

Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-3-yl)-(1-propylpyrazol-4-yl)methanamine?
The IUPAC name of (2-methyloxolan-3-yl)-(1-propylpyrazol-4-yl)methanamine (CID 115808146) is (2-methyloxolan-3-yl)-(1-propylpyrazol-4-yl)methanamine.
What is the SMILES notation for (2-methyloxolan-3-yl)-(1-propylpyrazol-4-yl)methanamine?
The canonical SMILES for (2-methyloxolan-3-yl)-(1-propylpyrazol-4-yl)methanamine is CCCn1cc(C(N)C2CCOC2C)cn1.
What is the InChIKey of (2-methyloxolan-3-yl)-(1-propylpyrazol-4-yl)methanamine?
The InChIKey is KZYNRGKFXMPDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-5-15-8-10(7-14-15)12(13)11-4-6-16-9(11)2/h7-9,11-12H,3-6,13H2,1-2H3.
What are the key properties of (2-methyloxolan-3-yl)-(1-propylpyrazol-4-yl)methanamine?
(2-methyloxolan-3-yl)-(1-propylpyrazol-4-yl)methanamine has a molecular weight of 223.32 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-3-yl)-(1-propylpyrazol-4-yl)methanamine is sourced from PubChem (CID 115808146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).