N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine

C17H31N3O — CID 104989907

IUPACN-[2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccn(C(C)CC)n1)C1COC(C)C1
InChIInChI=1S/C17H31N3O/c1-5-8-18-17(15-10-14(4)21-12-15)11-16-7-9-20(19-16)13(3)6-2/h7,9,13-15,17-18H,5-6,8,10-12H2,1-4H3
InChIKeyIUCZYHKOWGYZAV-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.19
Rot. Bonds8

About N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine

N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine (PubChem CID 104989907) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
PubChem CID104989907
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-[2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccn(C(C)CC)n1)C1COC(C)C1
InChIInChI=1S/C17H31N3O/c1-5-8-18-17(15-10-14(4)21-12-15)11-16-7-9-20(19-16)13(3)6-2/h7,9,13-15,17-18H,5-6,8,10-12H2,1-4H3
InChIKeyIUCZYHKOWGYZAV-UHFFFAOYSA-N
XLogP3.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352897
[1-(5-methyloxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312801
1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546820
N-[1-(3-methylcyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine
CID 65412777
N-[1-(5-methyloxolan-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 114825972
2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 65334393
N-[1-(2-methylcyclopropyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]propan-1-amine
CID 65422373
N-[2-(2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 114825874
1-(1-butan-2-ylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777222
1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778795
N-[2-(5-chloro-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 103052831
N-[2-(4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 114825858

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine (CID 104989907) is N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccn(C(C)CC)n1)C1COC(C)C1.
What is the InChIKey of N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is IUCZYHKOWGYZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-8-18-17(15-10-14(4)21-12-15)11-16-7-9-20(19-16)13(3)6-2/h7,9,13-15,17-18H,5-6,8,10-12H2,1-4H3.
What are the key properties of N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine?
N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104989907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).