1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethylethanamine

C10H18ClN3O — CID 114655981

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)c1c(Cl)cnn1C
InChIInChI=1S/C10H18ClN3O/c1-4-12-9(7-15-5-2)10-8(11)6-13-14(10)3/h6,9,12H,4-5,7H2,1-3H3
InChIKeyFKOPRQIIZYUTTF-UHFFFAOYSA-N
MW231.73 g/mol
LogP1.76
Rot. Bonds6

About 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethylethanamine

1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethylethanamine (PubChem CID 114655981) has the molecular formula C10H18ClN3O and a molecular weight of 231.73 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethylethanamine
PubChem CID114655981
Molecular FormulaC10H18ClN3O
Molecular Weight231.73 g/mol
Exact Mass231.11
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)c1c(Cl)cnn1C
InChIInChI=1S/C10H18ClN3O/c1-4-12-9(7-15-5-2)10-8(11)6-13-14(10)3/h6,9,12H,4-5,7H2,1-3H3
InChIKeyFKOPRQIIZYUTTF-UHFFFAOYSA-N
XLogP1.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylhexan-1-amine
CID 105046403
1-(4-chloro-1-methylpyrazol-5-yl)-4-ethoxy-N-propylbutan-1-amine
CID 105186139
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-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148627
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 114648398
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103559889
3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylbutan-2-amine
CID 114662988
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxyethyl]propan-1-amine
CID 114655999
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine
CID 114656151
1-(4-chloro-1-methylpyrazol-5-yl)-N-propylpropan-1-amine
CID 114647778
1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine
CID 114661268
2-(2-chloro-4-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine
CID 114650423

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethylethanamine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethylethanamine (CID 114655981) is 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethylethanamine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethylethanamine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethylethanamine is CCNC(COCC)c1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethylethanamine?
The InChIKey is FKOPRQIIZYUTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O/c1-4-12-9(7-15-5-2)10-8(11)6-13-14(10)3/h6,9,12H,4-5,7H2,1-3H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethylethanamine?
1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethylethanamine has a molecular weight of 231.73 g/mol, XLogP of 1.76, 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)-2-ethoxy-N-ethylethanamine is sourced from PubChem (CID 114655981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).