1-(cyclopropylamino)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid

C16H25N3O2 — CID 79572258

IUPAC1-(cyclopropylamino)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
SMILESCc1cc(C)n(CCC2CCCC2(NC2CC2)C(=O)O)n1
InChIInChI=1S/C16H25N3O2/c1-11-10-12(2)19(18-11)9-7-13-4-3-8-16(13,15(20)21)17-14-5-6-14/h10,13-14,17H,3-9H2,1-2H3,(H,20,21)
InChIKeyPOOGALKUXOOTEY-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.27
Rot. Bonds6

About 1-(cyclopropylamino)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid

1-(cyclopropylamino)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 79572258) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(cyclopropylamino)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
PubChem CID79572258
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-(cyclopropylamino)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
SMILESCc1cc(C)n(CCC2CCCC2(NC2CC2)C(=O)O)n1
InChIInChI=1S/C16H25N3O2/c1-11-10-12(2)19(18-11)9-7-13-4-3-8-16(13,15(20)21)17-14-5-6-14/h10,13-14,17H,3-9H2,1-2H3,(H,20,21)
InChIKeyPOOGALKUXOOTEY-UHFFFAOYSA-N
XLogP2.27
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79572159
1-(cyclopropylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79571759
1-(cyclopropylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxylic acid
CID 79587823
1-(methylamino)-2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79571998
3-(3,5-dimethylpyrazol-1-yl)-N-(4-hydroxycyclohexyl)propanamide
CID 43416849
1-(cyclopropylamino)-2-[2-[ethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 79563971
1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 113233160
1-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445107
1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19575124
2-[2-(2-methylimidazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79571334
1-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 114538459
2-cyclopropyl-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]acetic acid
CID 62697672

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid (CID 79572258) is 1-(cyclopropylamino)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid is Cc1cc(C)n(CCC2CCCC2(NC2CC2)C(=O)O)n1.
What is the InChIKey of 1-(cyclopropylamino)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is POOGALKUXOOTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-10-12(2)19(18-11)9-7-13-4-3-8-16(13,15(20)21)17-14-5-6-14/h10,13-14,17H,3-9H2,1-2H3,(H,20,21).
What are the key properties of 1-(cyclopropylamino)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid?
1-(cyclopropylamino)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79572258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).