1-(4-chloro-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine

C13H23ClN4 — CID 114656613

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCCn1ncc(Cl)c1C(N)C(C)(C)N1CCCC1
InChIInChI=1S/C13H23ClN4/c1-4-18-11(10(14)9-16-18)12(15)13(2,3)17-7-5-6-8-17/h9,12H,4-8,15H2,1-3H3
InChIKeyRYSFTEDDBNPCPQ-UHFFFAOYSA-N
MW270.81 g/mol
LogP2.43
Rot. Bonds4

About 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine

1-(4-chloro-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 114656613) has the molecular formula C13H23ClN4 and a molecular weight of 270.81 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID114656613
Molecular FormulaC13H23ClN4
Molecular Weight270.81 g/mol
Exact Mass270.16
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCCn1ncc(Cl)c1C(N)C(C)(C)N1CCCC1
InChIInChI=1S/C13H23ClN4/c1-4-18-11(10(14)9-16-18)12(15)13(2,3)17-7-5-6-8-17/h9,12H,4-8,15H2,1-3H3
InChIKeyRYSFTEDDBNPCPQ-UHFFFAOYSA-N
XLogP2.43
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656616
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 114656662
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 114656654
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 114656813
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656630
(4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopropyl)methanamine
CID 114658531
(4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine
CID 105040461
1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 114656935
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 114656815
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656621
1-(4-chloro-1-ethylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648699
(4-chloro-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105040745

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine (CID 114656613) is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine is CCn1ncc(Cl)c1C(N)C(C)(C)N1CCCC1.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is RYSFTEDDBNPCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4/c1-4-18-11(10(14)9-16-18)12(15)13(2,3)17-7-5-6-8-17/h9,12H,4-8,15H2,1-3H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine?
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 270.81 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 114656613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).