2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid

C14H22ClN3O2 — CID 79571861

IUPAC2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC1CCn1ncc(Cl)c1C
InChIInChI=1S/C14H22ClN3O2/c1-3-16-14(13(19)20)7-4-5-11(14)6-8-18-10(2)12(15)9-17-18/h9,11,16H,3-8H2,1-2H3,(H,19,20)
InChIKeyGNPWADHKGZEWGT-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.47
Rot. Bonds6

About 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid

2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid (PubChem CID 79571861) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
PubChem CID79571861
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC1CCn1ncc(Cl)c1C
InChIInChI=1S/C14H22ClN3O2/c1-3-16-14(13(19)20)7-4-5-11(14)6-8-18-10(2)12(15)9-17-18/h9,11,16H,3-8H2,1-2H3,(H,19,20)
InChIKeyGNPWADHKGZEWGT-UHFFFAOYSA-N
XLogP2.47
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid (CID 79571861) is 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid is CCNC1(C(=O)O)CCCC1CCn1ncc(Cl)c1C.
What is the InChIKey of 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid?
The InChIKey is GNPWADHKGZEWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-3-16-14(13(19)20)7-4-5-11(14)6-8-18-10(2)12(15)9-17-18/h9,11,16H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid?
2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid has a molecular weight of 299.80 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79571861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).