N-[2-cyclobutyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine

C16H29N3O — CID 103169666

IUPACN-[2-cyclobutyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)c1c(OC)cnn1C(C)C
InChIInChI=1S/C16H29N3O/c1-5-9-17-14(10-13-7-6-8-13)16-15(20-4)11-18-19(16)12(2)3/h11-14,17H,5-10H2,1-4H3
InChIKeyBTLOXWZAOCOQND-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.70
Rot. Bonds8

About N-[2-cyclobutyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine

N-[2-cyclobutyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine (PubChem CID 103169666) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[2-cyclobutyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclobutyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine
PubChem CID103169666
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[2-cyclobutyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)c1c(OC)cnn1C(C)C
InChIInChI=1S/C16H29N3O/c1-5-9-17-14(10-13-7-6-8-13)16-15(20-4)11-18-19(16)12(2)3/h11-14,17H,5-10H2,1-4H3
InChIKeyBTLOXWZAOCOQND-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine
CID 114661336
2-cyclobutyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 103169677
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105048293
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclobutyl-N-ethylethanamine
CID 103169565
2-cyclohexyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 105048780
N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648733
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclopentyl-N-ethylethanamine
CID 105041674
[2-cyclobutyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethyl]hydrazine
CID 103170830
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923904
N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 114660266
(4-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114643994
N-[2-(1,3-dioxolan-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 103547224

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclobutyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclobutyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine (CID 103169666) is N-[2-cyclobutyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclobutyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclobutyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine is CCCNC(CC1CCC1)c1c(OC)cnn1C(C)C.
What is the InChIKey of N-[2-cyclobutyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine?
The InChIKey is BTLOXWZAOCOQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-9-17-14(10-13-7-6-8-13)16-15(20-4)11-18-19(16)12(2)3/h11-14,17H,5-10H2,1-4H3.
What are the key properties of N-[2-cyclobutyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine?
N-[2-cyclobutyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclobutyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103169666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).