1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclobutyl-N-ethylethanamine

C14H24ClN3 — CID 103169565

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclobutyl-N-ethylethanamine
SMILESCCNC(CC1CCC1)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C14H24ClN3/c1-4-16-13(8-11-6-5-7-11)14-12(15)9-17-18(14)10(2)3/h9-11,13,16H,4-8H2,1-3H3
InChIKeyVNCHNWAWKSYFDO-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.96
Rot. Bonds6

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclobutyl-N-ethylethanamine

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclobutyl-N-ethylethanamine (PubChem CID 103169565) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclobutyl-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclobutyl-N-ethylethanamine
PubChem CID103169565
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclobutyl-N-ethylethanamine
SMILESCCNC(CC1CCC1)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C14H24ClN3/c1-4-16-13(8-11-6-5-7-11)14-12(15)9-17-18(14)10(2)3/h9-11,13,16H,4-8H2,1-3H3
InChIKeyVNCHNWAWKSYFDO-UHFFFAOYSA-N
XLogP3.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclopentyl-N-ethylethanamine
CID 105041674
N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 114660266
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 114648475
N-[2-cyclobutyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine
CID 103169666
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 114647431
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-cyclohexylmethyl]hydrazine
CID 105201958
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpentan-1-amine
CID 114657470
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylcyclohexyl)methanol
CID 114644004
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclopentylethyl]hydrazine
CID 105336401
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
CID 114655712
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propan-2-ylpentan-1-amine
CID 114657485
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethoxypropyl]hydrazine
CID 105336873

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclobutyl-N-ethylethanamine?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclobutyl-N-ethylethanamine (CID 103169565) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclobutyl-N-ethylethanamine.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclobutyl-N-ethylethanamine?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclobutyl-N-ethylethanamine is CCNC(CC1CCC1)c1c(Cl)cnn1C(C)C.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclobutyl-N-ethylethanamine?
The InChIKey is VNCHNWAWKSYFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-4-16-13(8-11-6-5-7-11)14-12(15)9-17-18(14)10(2)3/h9-11,13,16H,4-8H2,1-3H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclobutyl-N-ethylethanamine?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclobutyl-N-ethylethanamine has a molecular weight of 269.82 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclobutyl-N-ethylethanamine is sourced from PubChem (CID 103169565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).