3-(4-chloro-1-ethylpyrazol-5-yl)-1-cyclopropyl-N-ethylpropan-1-amine

C13H22ClN3 — CID 114664344

IUPAC3-(4-chloro-1-ethylpyrazol-5-yl)-1-cyclopropyl-N-ethylpropan-1-amine
SMILESCCNC(CCc1c(Cl)cnn1CC)C1CC1
InChIInChI=1S/C13H22ClN3/c1-3-15-12(10-5-6-10)7-8-13-11(14)9-16-17(13)4-2/h9-10,12,15H,3-8H2,1-2H3
InChIKeyQABKSIMEZQTUOD-UHFFFAOYSA-N
MW255.79 g/mol
LogP2.88
Rot. Bonds7

About 3-(4-chloro-1-ethylpyrazol-5-yl)-1-cyclopropyl-N-ethylpropan-1-amine

3-(4-chloro-1-ethylpyrazol-5-yl)-1-cyclopropyl-N-ethylpropan-1-amine (PubChem CID 114664344) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 3-(4-chloro-1-ethylpyrazol-5-yl)-1-cyclopropyl-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-1-ethylpyrazol-5-yl)-1-cyclopropyl-N-ethylpropan-1-amine
PubChem CID114664344
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name3-(4-chloro-1-ethylpyrazol-5-yl)-1-cyclopropyl-N-ethylpropan-1-amine
SMILESCCNC(CCc1c(Cl)cnn1CC)C1CC1
InChIInChI=1S/C13H22ClN3/c1-3-15-12(10-5-6-10)7-8-13-11(14)9-16-17(13)4-2/h9-10,12,15H,3-8H2,1-2H3
InChIKeyQABKSIMEZQTUOD-UHFFFAOYSA-N
XLogP2.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropyl-N-ethylpropan-1-amine
CID 114664348
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropyl-N-propylpropan-1-amine
CID 114664361
4-chloro-5-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole
CID 114665292
1-(4-chloro-1-ethylpyrazol-5-yl)-4,4-dimethylpentan-3-ol
CID 114665007
2-(4-chloro-5-methylpyrazol-1-yl)-1-cyclohexyl-N-ethylethanamine
CID 104747830
3-(5-chlorothiophen-2-yl)-1-cyclopropyl-N-ethylpropan-1-amine
CID 63355483
3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-N-ethylpropan-1-amine
CID 107892041
N-[(4-chloro-1-ethylpyrazol-5-yl)-(oxolan-3-yl)methyl]ethanamine
CID 114654751
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpropan-1-ol
CID 114664997
1-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 63354877
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethylnonan-1-amine
CID 105040884
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyloctan-1-amine
CID 105040888

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1-ethylpyrazol-5-yl)-1-cyclopropyl-N-ethylpropan-1-amine?
The IUPAC name of 3-(4-chloro-1-ethylpyrazol-5-yl)-1-cyclopropyl-N-ethylpropan-1-amine (CID 114664344) is 3-(4-chloro-1-ethylpyrazol-5-yl)-1-cyclopropyl-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(4-chloro-1-ethylpyrazol-5-yl)-1-cyclopropyl-N-ethylpropan-1-amine?
The canonical SMILES for 3-(4-chloro-1-ethylpyrazol-5-yl)-1-cyclopropyl-N-ethylpropan-1-amine is CCNC(CCc1c(Cl)cnn1CC)C1CC1.
What is the InChIKey of 3-(4-chloro-1-ethylpyrazol-5-yl)-1-cyclopropyl-N-ethylpropan-1-amine?
The InChIKey is QABKSIMEZQTUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-3-15-12(10-5-6-10)7-8-13-11(14)9-16-17(13)4-2/h9-10,12,15H,3-8H2,1-2H3.
What are the key properties of 3-(4-chloro-1-ethylpyrazol-5-yl)-1-cyclopropyl-N-ethylpropan-1-amine?
3-(4-chloro-1-ethylpyrazol-5-yl)-1-cyclopropyl-N-ethylpropan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-ethylpyrazol-5-yl)-1-cyclopropyl-N-ethylpropan-1-amine is sourced from PubChem (CID 114664344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).