(1-ethyl-4-methoxypyrazol-5-yl)-(3-methyloxolan-2-yl)methanamine

C12H21N3O2 — CID 105048076

IUPAC(1-ethyl-4-methoxypyrazol-5-yl)-(3-methyloxolan-2-yl)methanamine
SMILESCCn1ncc(OC)c1C(N)C1OCCC1C
InChIInChI=1S/C12H21N3O2/c1-4-15-11(9(16-3)7-14-15)10(13)12-8(2)5-6-17-12/h7-8,10,12H,4-6,13H2,1-3H3
InChIKeyPCWXZDAAKRMGGI-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.34
Rot. Bonds4

About (1-ethyl-4-methoxypyrazol-5-yl)-(3-methyloxolan-2-yl)methanamine

(1-ethyl-4-methoxypyrazol-5-yl)-(3-methyloxolan-2-yl)methanamine (PubChem CID 105048076) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (1-ethyl-4-methoxypyrazol-5-yl)-(3-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name(1-ethyl-4-methoxypyrazol-5-yl)-(3-methyloxolan-2-yl)methanamine
PubChem CID105048076
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(1-ethyl-4-methoxypyrazol-5-yl)-(3-methyloxolan-2-yl)methanamine
SMILESCCn1ncc(OC)c1C(N)C1OCCC1C
InChIInChI=1S/C12H21N3O2/c1-4-15-11(9(16-3)7-14-15)10(13)12-8(2)5-6-17-12/h7-8,10,12H,4-6,13H2,1-3H3
InChIKeyPCWXZDAAKRMGGI-UHFFFAOYSA-N
XLogP1.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-2-yl)methanamine
CID 114658855
N-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 105047110
(1-ethyl-4-methoxypyrazol-5-yl)-(4-propylmorpholin-2-yl)methanamine
CID 114657813
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 105047047
(1-ethyl-4-methoxypyrazol-5-yl)-(2-ethyloxolan-3-yl)methanol
CID 114104696
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 105048203
(1-ethyl-4-methoxypyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 114655860
7-bicyclo[4.1.0]heptanyl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837191
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxypropan-1-amine
CID 114657669
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine
CID 105047700
1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837206
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191194

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(3-methyloxolan-2-yl)methanamine?
The IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(3-methyloxolan-2-yl)methanamine (CID 105048076) is (1-ethyl-4-methoxypyrazol-5-yl)-(3-methyloxolan-2-yl)methanamine.
What is the SMILES notation for (1-ethyl-4-methoxypyrazol-5-yl)-(3-methyloxolan-2-yl)methanamine?
The canonical SMILES for (1-ethyl-4-methoxypyrazol-5-yl)-(3-methyloxolan-2-yl)methanamine is CCn1ncc(OC)c1C(N)C1OCCC1C.
What is the InChIKey of (1-ethyl-4-methoxypyrazol-5-yl)-(3-methyloxolan-2-yl)methanamine?
The InChIKey is PCWXZDAAKRMGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-15-11(9(16-3)7-14-15)10(13)12-8(2)5-6-17-12/h7-8,10,12H,4-6,13H2,1-3H3.
What are the key properties of (1-ethyl-4-methoxypyrazol-5-yl)-(3-methyloxolan-2-yl)methanamine?
(1-ethyl-4-methoxypyrazol-5-yl)-(3-methyloxolan-2-yl)methanamine has a molecular weight of 239.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-methoxypyrazol-5-yl)-(3-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 105048076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).