1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine

C14H26ClN3O — CID 114661589

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1c(Cl)cnn1CC)C(C)(CC)OC
InChIInChI=1S/C14H26ClN3O/c1-6-9-16-13(14(4,7-2)19-5)12-11(15)10-17-18(12)8-3/h10,13,16H,6-9H2,1-5H3
InChIKeySNEDYOJNPJAASB-UHFFFAOYSA-N
MW287.83 g/mol
LogP3.41
Rot. Bonds8

About 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine

1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine (PubChem CID 114661589) has the molecular formula C14H26ClN3O and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine
PubChem CID114661589
Molecular FormulaC14H26ClN3O
Molecular Weight287.83 g/mol
Exact Mass287.18
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1c(Cl)cnn1CC)C(C)(CC)OC
InChIInChI=1S/C14H26ClN3O/c1-6-9-16-13(14(4,7-2)19-5)12-11(15)10-17-18(12)8-3/h10,13,16H,6-9H2,1-5H3
InChIKeySNEDYOJNPJAASB-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-ethylpyrazol-5-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 114656777
1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105042810
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxy-2-methylbutan-1-amine
CID 114661573
1-(4-chloro-1-ethylpyrazol-5-yl)-3-propoxy-N-propylpropan-1-amine
CID 105183176
1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxy-N-propylbutan-1-amine
CID 114660418
1-(4-chloro-1-ethylpyrazol-5-yl)-3-cyclopentyl-N-propylpropan-1-amine
CID 105040614
1-(4-chloro-1-ethylpyrazol-5-yl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
CID 114656808
1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 114661709
N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylsulfanylethyl]propan-1-amine
CID 114653517
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dipropylpentan-1-amine
CID 105042520
1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
CID 114656801
N-[(4-chloro-1-ethylpyrazol-5-yl)-cyclobutylmethyl]propan-1-amine
CID 114653224

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine (CID 114661589) is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine is CCCNC(c1c(Cl)cnn1CC)C(C)(CC)OC.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine?
The InChIKey is SNEDYOJNPJAASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN3O/c1-6-9-16-13(14(4,7-2)19-5)12-11(15)10-17-18(12)8-3/h10,13,16H,6-9H2,1-5H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine?
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-methyl-N-propylbutan-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-ethylpyrazol-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 114661589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).