N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine

C15H26ClN3O — CID 114660266

IUPACN-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCOC1)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C15H26ClN3O/c1-4-6-17-14(8-12-5-7-20-10-12)15-13(16)9-18-19(15)11(2)3/h9,11-12,14,17H,4-8,10H2,1-3H3
InChIKeyIQXGDIBDGNDJGX-UHFFFAOYSA-N
MW299.85 g/mol
LogP3.58
Rot. Bonds7

About N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine

N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine (PubChem CID 114660266) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
PubChem CID114660266
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC NameN-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCOC1)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C15H26ClN3O/c1-4-6-17-14(8-12-5-7-20-10-12)15-13(16)9-18-19(15)11(2)3/h9,11-12,14,17H,4-8,10H2,1-3H3
InChIKeyIQXGDIBDGNDJGX-UHFFFAOYSA-N
XLogP3.58
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpentan-1-amine
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1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclobutyl-N-ethylethanamine
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1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclopentyl-N-ethylethanamine
CID 105041674
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine
CID 114651928
N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 114653705
N-[2-(oxolan-3-yl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 103987493
N-[1-(3-chlorothiophen-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 107360148
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(oxolan-3-yl)ethyl]hydrazine
CID 105266007
N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylethyl]propan-1-amine
CID 114647090
N-[2-cyclobutyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine
CID 103169666
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 103150042
N-[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(oxan-2-yl)ethyl]propan-1-amine
CID 114660474

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine (CID 114660266) is N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine is CCCNC(CC1CCOC1)c1c(Cl)cnn1C(C)C.
What is the InChIKey of N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is IQXGDIBDGNDJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O/c1-4-6-17-14(8-12-5-7-20-10-12)15-13(16)9-18-19(15)11(2)3/h9,11-12,14,17H,4-8,10H2,1-3H3.
What are the key properties of N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 299.85 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 114660266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).