5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid

C14H23N3O2 — CID 64915656

IUPAC5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCCC1CCC(Nc2c(C(=O)O)c(C)nn2C)C1C
InChIInChI=1S/C14H23N3O2/c1-5-10-6-7-11(8(10)2)15-13-12(14(18)19)9(3)16-17(13)4/h8,10-11,15H,5-7H2,1-4H3,(H,18,19)
InChIKeyHAHWSZBRTSSZEP-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.66
Rot. Bonds4

About 5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid

5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid (PubChem CID 64915656) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid
PubChem CID64915656
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCCC1CCC(Nc2c(C(=O)O)c(C)nn2C)C1C
InChIInChI=1S/C14H23N3O2/c1-5-10-6-7-11(8(10)2)15-13-12(14(18)19)9(3)16-17(13)4/h8,10-11,15H,5-7H2,1-4H3,(H,18,19)
InChIKeyHAHWSZBRTSSZEP-UHFFFAOYSA-N
XLogP2.66
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-5-[(3-methyloxan-4-yl)amino]pyrazole-4-carboxylic acid
CID 114241514
5-(cycloheptylamino)-1,3-dimethylpyrazole-4-carboxylic acid
CID 55241149
5-N-(3-ethyl-2-methylcyclopentyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66012536
5-[(2,3-dimethylcyclopentyl)amino]-1,3-dimethylpyrazole-4-carbothioamide
CID 64908065
1,3-dimethyl-5-[(1-methylpiperidin-3-yl)amino]pyrazole-4-carboxylic acid
CID 55242499
5-(1-cyclopropylbutan-2-ylamino)-1,3-dimethylpyrazole-4-carboxylic acid
CID 63995405
5-(ethoxycarbonylamino)-1,3-dimethylpyrazole-4-carboxylic acid
CID 110479357
5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 55241724
6-[(3-ethyl-2-methylcyclopentyl)amino]pyridazine-3-carboxylic acid
CID 64923554
5-[cyclopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 43264330
1,3-dimethyl-5-(prop-2-ynylamino)pyrazole-4-carboxylic acid
CID 63758259
5-amino-6-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-2-carboxylic acid
CID 114406820

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid (CID 64915656) is 5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid is CCC1CCC(Nc2c(C(=O)O)c(C)nn2C)C1C.
What is the InChIKey of 5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid?
The InChIKey is HAHWSZBRTSSZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-10-6-7-11(8(10)2)15-13-12(14(18)19)9(3)16-17(13)4/h8,10-11,15H,5-7H2,1-4H3,(H,18,19).
What are the key properties of 5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid?
5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 64915656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).