1-(4-chloro-1-ethylpyrazol-5-yl)-3-cyclopentyl-N-propylpropan-1-amine

C16H28ClN3 — CID 105040614

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-3-cyclopentyl-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCC1)c1c(Cl)cnn1CC
InChIInChI=1S/C16H28ClN3/c1-3-11-18-15(10-9-13-7-5-6-8-13)16-14(17)12-19-20(16)4-2/h12-13,15,18H,3-11H2,1-2H3
InChIKeyPAERTLWYZDYGJN-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.57
Rot. Bonds8

About 1-(4-chloro-1-ethylpyrazol-5-yl)-3-cyclopentyl-N-propylpropan-1-amine

1-(4-chloro-1-ethylpyrazol-5-yl)-3-cyclopentyl-N-propylpropan-1-amine (PubChem CID 105040614) has the molecular formula C16H28ClN3 and a molecular weight of 297.87 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-3-cyclopentyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-3-cyclopentyl-N-propylpropan-1-amine
PubChem CID105040614
Molecular FormulaC16H28ClN3
Molecular Weight297.87 g/mol
Exact Mass297.20
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-3-cyclopentyl-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCC1)c1c(Cl)cnn1CC
InChIInChI=1S/C16H28ClN3/c1-3-11-18-15(10-9-13-7-5-6-8-13)16-14(17)12-19-20(16)4-2/h12-13,15,18H,3-11H2,1-2H3
InChIKeyPAERTLWYZDYGJN-UHFFFAOYSA-N
XLogP4.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-3-cyclopentyl-N-methylpropan-1-amine
CID 105042610
1-(4-chloro-1-ethylpyrazol-5-yl)-3-propoxy-N-propylpropan-1-amine
CID 105183176
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclopentylethyl]hydrazine
CID 105336401
N-[(4-chloro-1-ethylpyrazol-5-yl)-cyclobutylmethyl]propan-1-amine
CID 114653224
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethyl]hydrazine
CID 105336353
N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 114660901
N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylsulfanylethyl]propan-1-amine
CID 114653517
1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxy-N-propylbutan-1-amine
CID 114660418
[1-(4-chloro-1-methylpyrazol-5-yl)-3-cyclopentylpropyl]hydrazine
CID 105338877
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyloctan-1-amine
CID 105040888
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethylnonan-1-amine
CID 105040884
1-(4-chloro-1-propylpyrazol-5-yl)-4-methoxy-N-propylbutan-1-amine
CID 114653419

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-3-cyclopentyl-N-propylpropan-1-amine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-3-cyclopentyl-N-propylpropan-1-amine (CID 105040614) is 1-(4-chloro-1-ethylpyrazol-5-yl)-3-cyclopentyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-3-cyclopentyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-3-cyclopentyl-N-propylpropan-1-amine is CCCNC(CCC1CCCC1)c1c(Cl)cnn1CC.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-3-cyclopentyl-N-propylpropan-1-amine?
The InChIKey is PAERTLWYZDYGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3/c1-3-11-18-15(10-9-13-7-5-6-8-13)16-14(17)12-19-20(16)4-2/h12-13,15,18H,3-11H2,1-2H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-3-cyclopentyl-N-propylpropan-1-amine?
1-(4-chloro-1-ethylpyrazol-5-yl)-3-cyclopentyl-N-propylpropan-1-amine has a molecular weight of 297.87 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-3-cyclopentyl-N-propylpropan-1-amine is sourced from PubChem (CID 105040614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).