1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine

C16H28ClN3O — CID 103168933

IUPAC1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
SMILESCCOC1CC(CC(Cc2c(Cl)c(CC)nn2C)NC)C1
InChIInChI=1S/C16H28ClN3O/c1-5-14-16(17)15(20(4)19-14)10-12(18-3)7-11-8-13(9-11)21-6-2/h11-13,18H,5-10H2,1-4H3
InChIKeyGCEXBSJPIONLSG-UHFFFAOYSA-N
MW313.87 g/mol
LogP2.97
Rot. Bonds8

About 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine

1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine (PubChem CID 103168933) has the molecular formula C16H28ClN3O and a molecular weight of 313.87 g/mol. Its IUPAC name is 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
PubChem CID103168933
Molecular FormulaC16H28ClN3O
Molecular Weight313.87 g/mol
Exact Mass313.19
IUPAC Name1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
SMILESCCOC1CC(CC(Cc2c(Cl)c(CC)nn2C)NC)C1
InChIInChI=1S/C16H28ClN3O/c1-5-14-16(17)15(20(4)19-14)10-12(18-3)7-11-8-13(9-11)21-6-2/h11-13,18H,5-10H2,1-4H3
InChIKeyGCEXBSJPIONLSG-UHFFFAOYSA-N
XLogP2.97
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-ethoxycyclobutyl)propan-2-ol
CID 103170079
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
CID 103168966
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine
CID 105159803
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 79952752
4-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346379
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-N-methylpentan-2-amine
CID 116715572
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine
CID 103546906
1-(4-chloro-1,3-diethylpyrazol-5-yl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105161506
1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
CID 103168260
1-(3-ethoxycyclobutyl)-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 103164153
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105159793
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-4-methylhexan-2-amine
CID 104998438

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine (CID 103168933) is 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine is CCOC1CC(CC(Cc2c(Cl)c(CC)nn2C)NC)C1.
What is the InChIKey of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine?
The InChIKey is GCEXBSJPIONLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3O/c1-5-14-16(17)15(20(4)19-14)10-12(18-3)7-11-8-13(9-11)21-6-2/h11-13,18H,5-10H2,1-4H3.
What are the key properties of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine?
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine has a molecular weight of 313.87 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine is sourced from PubChem (CID 103168933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).