3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopentyl-N-ethylpropan-1-amine

C17H30ClN3 — CID 115926580

IUPAC3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopentyl-N-ethylpropan-1-amine
SMILESCCNCC(Cc1c(Cl)c(CC)nn1CC)C1CCCC1
InChIInChI=1S/C17H30ClN3/c1-4-15-17(18)16(21(6-3)20-15)11-14(12-19-5-2)13-9-7-8-10-13/h13-14,19H,4-12H2,1-3H3
InChIKeyLHIJHTUVRNBCRJ-UHFFFAOYSA-N
MW311.90 g/mol
LogP4.08
Rot. Bonds8

About 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopentyl-N-ethylpropan-1-amine

3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopentyl-N-ethylpropan-1-amine (PubChem CID 115926580) has the molecular formula C17H30ClN3 and a molecular weight of 311.90 g/mol. Its IUPAC name is 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopentyl-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopentyl-N-ethylpropan-1-amine
PubChem CID115926580
Molecular FormulaC17H30ClN3
Molecular Weight311.90 g/mol
Exact Mass311.21
IUPAC Name3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopentyl-N-ethylpropan-1-amine
SMILESCCNCC(Cc1c(Cl)c(CC)nn1CC)C1CCCC1
InChIInChI=1S/C17H30ClN3/c1-4-15-17(18)16(21(6-3)20-15)11-14(12-19-5-2)13-9-7-8-10-13/h13-14,19H,4-12H2,1-3H3
InChIKeyLHIJHTUVRNBCRJ-UHFFFAOYSA-N
XLogP4.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.90
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-bromo-2-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole
CID 112570654
[1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopentylpropan-2-yl]hydrazine
CID 105318256
2-cyclopentyl-3-(1,3-diethylpyrazol-5-yl)-N-ethylpropan-1-amine
CID 115926572
(1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine
CID 81388662
5-(3-bromo-3-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole
CID 113390424
1-(7-bicyclo[4.1.0]heptanyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine
CID 105001490
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine
CID 105001487
2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(thian-2-yl)ethanamine
CID 80627356
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-piperidin-2-ylethanol
CID 106634560
[2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2,2-dimethylcyclopropyl)ethyl]hydrazine
CID 107005746
1-(4-chloro-1,3-diethylpyrazol-5-yl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105161506
2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105001400

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopentyl-N-ethylpropan-1-amine?
The IUPAC name of 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopentyl-N-ethylpropan-1-amine (CID 115926580) is 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopentyl-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopentyl-N-ethylpropan-1-amine?
The canonical SMILES for 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopentyl-N-ethylpropan-1-amine is CCNCC(Cc1c(Cl)c(CC)nn1CC)C1CCCC1.
What is the InChIKey of 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopentyl-N-ethylpropan-1-amine?
The InChIKey is LHIJHTUVRNBCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClN3/c1-4-15-17(18)16(21(6-3)20-15)11-14(12-19-5-2)13-9-7-8-10-13/h13-14,19H,4-12H2,1-3H3.
What are the key properties of 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopentyl-N-ethylpropan-1-amine?
3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopentyl-N-ethylpropan-1-amine has a molecular weight of 311.90 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopentyl-N-ethylpropan-1-amine is sourced from PubChem (CID 115926580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).