N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-amine

C15H29N3O — CID 114648733

IUPACN-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-amine
SMILESCCNC(CCC(C)C)c1c(OC)cnn1C(C)C
InChIInChI=1S/C15H29N3O/c1-7-16-13(9-8-11(2)3)15-14(19-6)10-17-18(15)12(4)5/h10-13,16H,7-9H2,1-6H3
InChIKeyYYOFOTSQNPGCNR-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.56
Rot. Bonds8

About N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-amine

N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-amine (PubChem CID 114648733) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-amine
PubChem CID114648733
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-amine
SMILESCCNC(CCC(C)C)c1c(OC)cnn1C(C)C
InChIInChI=1S/C15H29N3O/c1-7-16-13(9-8-11(2)3)15-14(19-6)10-17-18(15)12(4)5/h10-13,16H,7-9H2,1-6H3
InChIKeyYYOFOTSQNPGCNR-UHFFFAOYSA-N
XLogP3.56
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylsulfanylethanamine
CID 114653589
N-ethyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-amine
CID 114657701
N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 114650023
2,2-diethoxy-N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine
CID 114657606
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830652
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105048332
N-[(4-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114646374
N-[2-cyclobutyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine
CID 103169666
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105186864
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-pyrazin-2-ylmethyl]ethanamine
CID 114648090
N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105046940
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 114648745

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-amine?
The IUPAC name of N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-amine (CID 114648733) is N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-amine?
The canonical SMILES for N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-amine is CCNC(CCC(C)C)c1c(OC)cnn1C(C)C.
What is the InChIKey of N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-amine?
The InChIKey is YYOFOTSQNPGCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-7-16-13(9-8-11(2)3)15-14(19-6)10-17-18(15)12(4)5/h10-13,16H,7-9H2,1-6H3.
What are the key properties of N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-amine?
N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-amine is sourced from PubChem (CID 114648733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).