1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine

C14H26BrN3O — CID 103029385

IUPAC1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)(C)OC)c1c(Br)cnn1C(C)C
InChIInChI=1S/C14H26BrN3O/c1-7-16-12(8-14(4,5)19-6)13-11(15)9-17-18(13)10(2)3/h9-10,12,16H,7-8H2,1-6H3
InChIKeyORMFQNZNFMUNFY-UHFFFAOYSA-N
MW332.29 g/mol
LogP3.69
Rot. Bonds7

About 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine (PubChem CID 103029385) has the molecular formula C14H26BrN3O and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
PubChem CID103029385
Molecular FormulaC14H26BrN3O
Molecular Weight332.29 g/mol
Exact Mass331.13
IUPAC Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)(C)OC)c1c(Br)cnn1C(C)C
InChIInChI=1S/C14H26BrN3O/c1-7-16-12(8-14(4,5)19-6)13-11(15)9-17-18(13)10(2)3/h9-10,12,16H,7-8H2,1-6H3
InChIKeyORMFQNZNFMUNFY-UHFFFAOYSA-N
XLogP3.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine (CID 103029385) is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine is CCNC(CC(C)(C)OC)c1c(Br)cnn1C(C)C.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
The InChIKey is ORMFQNZNFMUNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrN3O/c1-7-16-12(8-14(4,5)19-6)13-11(15)9-17-18(13)10(2)3/h9-10,12,16H,7-8H2,1-6H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine has a molecular weight of 332.29 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 103029385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).