1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine

C14H26ClN3O — CID 114661709

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
SMILESCCCn1ncc(Cl)c1C(NC)C(CC)(CC)OC
InChIInChI=1S/C14H26ClN3O/c1-6-9-18-12(11(15)10-17-18)13(16-4)14(7-2,8-3)19-5/h10,13,16H,6-9H2,1-5H3
InChIKeyDYXFCBMUJMORRY-UHFFFAOYSA-N
MW287.83 g/mol
LogP3.41
Rot. Bonds8

About 1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine

1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine (PubChem CID 114661709) has the molecular formula C14H26ClN3O and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
PubChem CID114661709
Molecular FormulaC14H26ClN3O
Molecular Weight287.83 g/mol
Exact Mass287.18
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
SMILESCCCn1ncc(Cl)c1C(NC)C(CC)(CC)OC
InChIInChI=1S/C14H26ClN3O/c1-6-9-18-12(11(15)10-17-18)13(16-4)14(7-2,8-3)19-5/h10,13,16H,6-9H2,1-5H3
InChIKeyDYXFCBMUJMORRY-UHFFFAOYSA-N
XLogP3.41
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656630
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
CID 114651693
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methoxybutan-1-amine
CID 114661699
1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105042810
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 114661716
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
CID 105042462
[1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethoxyethyl]hydrazine
CID 105245955
1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine
CID 114648638
1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835624
1-(4-chloro-1-propylpyrazol-5-yl)-N-methylbut-3-en-1-amine
CID 114660818
1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-triethyl-1-N-methylbutane-1,2-diamine
CID 114656930
1-(4-chloro-1-propylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)-N-methylmethanamine
CID 106848796

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine (CID 114661709) is 1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine is CCCn1ncc(Cl)c1C(NC)C(CC)(CC)OC.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine?
The InChIKey is DYXFCBMUJMORRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN3O/c1-6-9-18-12(11(15)10-17-18)13(16-4)14(7-2,8-3)19-5/h10,13,16H,6-9H2,1-5H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine?
1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine has a molecular weight of 287.83 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 114661709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).