1-(1-tert-butylpyrazol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine

C15H27N3O — CID 103802349

IUPAC1-(1-tert-butylpyrazol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
SMILESCOCCC1(CNCc2cnn(C(C)(C)C)c2)CC1
InChIInChI=1S/C15H27N3O/c1-14(2,3)18-11-13(10-17-18)9-16-12-15(5-6-15)7-8-19-4/h10-11,16H,5-9,12H2,1-4H3
InChIKeyOZKZOYYQKMQNIA-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.54
Rot. Bonds7

About 1-(1-tert-butylpyrazol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine

1-(1-tert-butylpyrazol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine (PubChem CID 103802349) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(1-tert-butylpyrazol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine.

Molecular Properties

Compound Name1-(1-tert-butylpyrazol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
PubChem CID103802349
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(1-tert-butylpyrazol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
SMILESCOCCC1(CNCc2cnn(C(C)(C)C)c2)CC1
InChIInChI=1S/C15H27N3O/c1-14(2,3)18-11-13(10-17-18)9-16-12-15(5-6-15)7-8-19-4/h10-11,16H,5-9,12H2,1-4H3
InChIKeyOZKZOYYQKMQNIA-UHFFFAOYSA-N
XLogP2.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpyrazol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine?
The IUPAC name of 1-(1-tert-butylpyrazol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine (CID 103802349) is 1-(1-tert-butylpyrazol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine.
What is the SMILES notation for 1-(1-tert-butylpyrazol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine?
The canonical SMILES for 1-(1-tert-butylpyrazol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine is COCCC1(CNCc2cnn(C(C)(C)C)c2)CC1.
What is the InChIKey of 1-(1-tert-butylpyrazol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine?
The InChIKey is OZKZOYYQKMQNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-14(2,3)18-11-13(10-17-18)9-16-12-15(5-6-15)7-8-19-4/h10-11,16H,5-9,12H2,1-4H3.
What are the key properties of 1-(1-tert-butylpyrazol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine?
1-(1-tert-butylpyrazol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine has a molecular weight of 265.40 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpyrazol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine is sourced from PubChem (CID 103802349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).