1-(1,3-diethylpyrazol-5-yl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine

C16H29N3O — CID 103559525

IUPAC1-(1,3-diethylpyrazol-5-yl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine
SMILESCCc1cc(CC(CC2(OC)CCC2)NC)n(CC)n1
InChIInChI=1S/C16H29N3O/c1-5-13-10-15(19(6-2)18-13)11-14(17-3)12-16(20-4)8-7-9-16/h10,14,17H,5-9,11-12H2,1-4H3
InChIKeyJZULLLLZLXZQEU-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.56
Rot. Bonds8

About 1-(1,3-diethylpyrazol-5-yl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine

1-(1,3-diethylpyrazol-5-yl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine (PubChem CID 103559525) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine
PubChem CID103559525
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine
SMILESCCc1cc(CC(CC2(OC)CCC2)NC)n(CC)n1
InChIInChI=1S/C16H29N3O/c1-5-13-10-15(19(6-2)18-13)11-14(17-3)12-16(20-4)8-7-9-16/h10,14,17H,5-9,11-12H2,1-4H3
InChIKeyJZULLLLZLXZQEU-UHFFFAOYSA-N
XLogP2.56
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methoxycyclobutyl)-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 103559441
1-(1,3-diethylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine
CID 105161582
1-(1,3-diethylpyrazol-5-yl)-N-methylhexan-2-amine
CID 79404804
[1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-yl]hydrazine
CID 103560494
1-(1-methoxycyclobutyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 103559485
1-(1,3-diethylpyrazol-5-yl)-N-propan-2-ylhexan-2-amine
CID 79412564
[1-(1,3-diethylpyrazol-5-yl)-3-methylpentan-2-yl]hydrazine
CID 105219741
4-ethyl-1-(1-methoxycyclobutyl)-N-methylhexan-2-amine
CID 103559752
1-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1-ethoxy-N-methylpropan-2-amine
CID 116723522
2-(1,3-diethylpyrazol-5-yl)-N-methyl-1-pyridazin-4-ylethanamine
CID 105161684
1-(1,3-diethylpyrazol-5-yl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine
CID 79064585
1,3-diethyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole
CID 66465543

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine (CID 103559525) is 1-(1,3-diethylpyrazol-5-yl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine is CCc1cc(CC(CC2(OC)CCC2)NC)n(CC)n1.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine?
The InChIKey is JZULLLLZLXZQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-13-10-15(19(6-2)18-13)11-14(17-3)12-16(20-4)8-7-9-16/h10,14,17H,5-9,11-12H2,1-4H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine?
1-(1,3-diethylpyrazol-5-yl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine is sourced from PubChem (CID 103559525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).