1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine

C13H22ClN3O — CID 103559889

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
SMILESCCNC(CC1(OC)CCC1)c1c(Cl)cnn1C
InChIInChI=1S/C13H22ClN3O/c1-4-15-11(8-13(18-3)6-5-7-13)12-10(14)9-16-17(12)2/h9,11,15H,4-8H2,1-3H3
InChIKeyYOXSXQVKWGHMFS-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.68
Rot. Bonds6

About 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine

1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine (PubChem CID 103559889) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
PubChem CID103559889
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
SMILESCCNC(CC1(OC)CCC1)c1c(Cl)cnn1C
InChIInChI=1S/C13H22ClN3O/c1-4-15-11(8-13(18-3)6-5-7-13)12-10(14)9-16-17(12)2/h9,11,15H,4-8H2,1-3H3
InChIKeyYOXSXQVKWGHMFS-UHFFFAOYSA-N
XLogP2.68
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylhexan-1-amine
CID 105046403
1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethylethanamine
CID 114655981
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 114658003
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 114648398
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148627
N-ethyl-2-(1-methoxycyclobutyl)-1-phenylethanamine
CID 103556215
1-(3-chlorophenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103559092
2-(1-methoxycyclobutyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 103559895
2-[4-chloro-5-[ethylamino-(1-methoxycyclobutyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114660941
N-ethyl-1-(4-ethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556238
3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylbutan-2-amine
CID 114662988
N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine
CID 114647881

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine (CID 103559889) is 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine is CCNC(CC1(OC)CCC1)c1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine?
The InChIKey is YOXSXQVKWGHMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-4-15-11(8-13(18-3)6-5-7-13)12-10(14)9-16-17(12)2/h9,11,15H,4-8H2,1-3H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine?
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine has a molecular weight of 271.79 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine is sourced from PubChem (CID 103559889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).