2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine

C14H25N3O2 — CID 114661308

IUPAC2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine
SMILESCNC(c1c(OC)cnn1C(C)C)C(OC)C1CC1
InChIInChI=1S/C14H25N3O2/c1-9(2)17-13(11(18-4)8-16-17)12(15-3)14(19-5)10-6-7-10/h8-10,12,14-15H,6-7H2,1-5H3
InChIKeySEBYLHSRYOMQTC-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.16
Rot. Bonds7

About 2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine

2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine (PubChem CID 114661308) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine
PubChem CID114661308
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine
SMILESCNC(c1c(OC)cnn1C(C)C)C(OC)C1CC1
InChIInChI=1S/C14H25N3O2/c1-9(2)17-13(11(18-4)8-16-17)12(15-3)14(19-5)10-6-7-10/h8-10,12,14-15H,6-7H2,1-5H3
InChIKeySEBYLHSRYOMQTC-UHFFFAOYSA-N
XLogP2.16
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine
CID 114661336
2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine
CID 114661294
2,2-difluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine
CID 103517190
2-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-ol
CID 115837387
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 114654399
N-ethyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-amine
CID 114657701
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105048369
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 105048203
(4-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114643994
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 102923906
N-[2-cyclobutyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine
CID 103169666
2,2-diethoxy-N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine
CID 114657606

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine?
The IUPAC name of 2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine (CID 114661308) is 2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine?
The canonical SMILES for 2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine is CNC(c1c(OC)cnn1C(C)C)C(OC)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine?
The InChIKey is SEBYLHSRYOMQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-9(2)17-13(11(18-4)8-16-17)12(15-3)14(19-5)10-6-7-10/h8-10,12,14-15H,6-7H2,1-5H3.
What are the key properties of 2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine?
2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine has a molecular weight of 267.37 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 114661308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).