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

C15H26ClN3 — CID 105041674

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclopentyl-N-ethylethanamine
SMILESCCNC(CC1CCCC1)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C15H26ClN3/c1-4-17-14(9-12-7-5-6-8-12)15-13(16)10-18-19(15)11(2)3/h10-12,14,17H,4-9H2,1-3H3
InChIKeyWRNCGXRQTCASCL-UHFFFAOYSA-N
MW283.85 g/mol
LogP4.35
Rot. Bonds6

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

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclopentyl-N-ethylethanamine (PubChem CID 105041674) has the molecular formula C15H26ClN3 and a molecular weight of 283.85 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclopentyl-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclopentyl-N-ethylethanamine
PubChem CID105041674
Molecular FormulaC15H26ClN3
Molecular Weight283.85 g/mol
Exact Mass283.18
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclopentyl-N-ethylethanamine
SMILESCCNC(CC1CCCC1)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C15H26ClN3/c1-4-17-14(9-12-7-5-6-8-12)15-13(16)10-18-19(15)11(2)3/h10-12,14,17H,4-9H2,1-3H3
InChIKeyWRNCGXRQTCASCL-UHFFFAOYSA-N
XLogP4.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclobutyl-N-ethylethanamine
CID 103169565
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
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-cyclohexylmethyl]hydrazine
CID 105201958
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclopentylethyl]hydrazine
CID 105336401
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 114647431
N-[2-cyclobutyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine
CID 103169666
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethyl]hydrazine
CID 105336353
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-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclopentyl-N-ethylethanamine?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclopentyl-N-ethylethanamine (CID 105041674) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclopentyl-N-ethylethanamine.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclopentyl-N-ethylethanamine?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclopentyl-N-ethylethanamine is CCNC(CC1CCCC1)c1c(Cl)cnn1C(C)C.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclopentyl-N-ethylethanamine?
The InChIKey is WRNCGXRQTCASCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3/c1-4-17-14(9-12-7-5-6-8-12)15-13(16)10-18-19(15)11(2)3/h10-12,14,17H,4-9H2,1-3H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclopentyl-N-ethylethanamine?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclopentyl-N-ethylethanamine has a molecular weight of 283.85 g/mol, XLogP of 4.35, 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-cyclopentyl-N-ethylethanamine is sourced from PubChem (CID 105041674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).