3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid

C12H18ClN3O2 — CID 79651468

IUPAC3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)NC1(C(=O)O)CCC(n2cc(Cl)cn2)C1
InChIInChI=1S/C12H18ClN3O2/c1-8(2)15-12(11(17)18)4-3-10(5-12)16-7-9(13)6-14-16/h6-8,10,15H,3-5H2,1-2H3,(H,17,18)
InChIKeyVXNKREPCLCSOIG-UHFFFAOYSA-N
MW271.75 g/mol
LogP2.08
Rot. Bonds4

About 3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid

3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid (PubChem CID 79651468) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
PubChem CID79651468
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)NC1(C(=O)O)CCC(n2cc(Cl)cn2)C1
InChIInChI=1S/C12H18ClN3O2/c1-8(2)15-12(11(17)18)4-3-10(5-12)16-7-9(13)6-14-16/h6-8,10,15H,3-5H2,1-2H3,(H,17,18)
InChIKeyVXNKREPCLCSOIG-UHFFFAOYSA-N
XLogP2.08
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79651397
3-(4-chloropyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79637295
ethyl 3-(4-iodopyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649106
3-(4-cyclopropylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79647686
3-(4-chloropyrazol-1-yl)-1-(cyclopropylamino)cyclohexane-1-carboxamide
CID 79637451
3-(1-methylpyrazol-4-yl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79653952
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 115561603
3-(4-iodopyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79637304
1-(methylamino)-3-(4-phenylpyrazol-1-yl)cyclopentane-1-carboxamide
CID 79646407
3-(2,6-dimethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79649630
1-(propan-2-ylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79645140
3-(4-ethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79651186

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid (CID 79651468) is 3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid is CC(C)NC1(C(=O)O)CCC(n2cc(Cl)cn2)C1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The InChIKey is VXNKREPCLCSOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-8(2)15-12(11(17)18)4-3-10(5-12)16-7-9(13)6-14-16/h6-8,10,15H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid has a molecular weight of 271.75 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79651468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).