4-[(cyclopentylamino)methyl]-1-ethylpyrazole-5-carboxylic acid

C12H19N3O2 — CID 117216786

IUPAC4-[(cyclopentylamino)methyl]-1-ethylpyrazole-5-carboxylic acid
SMILESCCn1ncc(CNC2CCCC2)c1C(=O)O
InChIInChI=1S/C12H19N3O2/c1-2-15-11(12(16)17)9(8-14-15)7-13-10-5-3-4-6-10/h8,10,13H,2-7H2,1H3,(H,16,17)
InChIKeyGGOGNYITMLYZSH-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.63
Rot. Bonds5

About 4-[(cyclopentylamino)methyl]-1-ethylpyrazole-5-carboxylic acid

4-[(cyclopentylamino)methyl]-1-ethylpyrazole-5-carboxylic acid (PubChem CID 117216786) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[(cyclopentylamino)methyl]-1-ethylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(cyclopentylamino)methyl]-1-ethylpyrazole-5-carboxylic acid
PubChem CID117216786
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[(cyclopentylamino)methyl]-1-ethylpyrazole-5-carboxylic acid
SMILESCCn1ncc(CNC2CCCC2)c1C(=O)O
InChIInChI=1S/C12H19N3O2/c1-2-15-11(12(16)17)9(8-14-15)7-13-10-5-3-4-6-10/h8,10,13H,2-7H2,1H3,(H,16,17)
InChIKeyGGOGNYITMLYZSH-UHFFFAOYSA-N
XLogP1.63
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(cyclobutylamino)methyl]-1-ethylpyrazol-5-amine
CID 117216682
4-(ethoxymethyl)-1-ethylpyrazole-5-carboxylic acid
CID 117216852
1-ethyl-4-(phenoxymethyl)pyrazole-5-carboxylic acid
CID 117216813
4-[(cyclopentylamino)methyl]-1,2-oxazole-5-carboxylic acid
CID 117216240
N-[(1-cyclopentyl-5-ethylpyrazol-4-yl)methyl]cyclopropanamine
CID 66441337
2-[(cyclohexylamino)methyl]benzoic acid
CID 17156908
cis-(1R,2S)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 1257858
1-methyl-5-[[(4-propylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116630994
2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride
CID 17156907
1-ethyl-5-(pyrrolidine-1-carbonyl)pyrazole-4-carboxylic acid
CID 117219067
4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 59975380
4-amino-N-cyclopropyl-1-ethylpyrazole-5-carboxamide
CID 65356982

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopentylamino)methyl]-1-ethylpyrazole-5-carboxylic acid?
The IUPAC name of 4-[(cyclopentylamino)methyl]-1-ethylpyrazole-5-carboxylic acid (CID 117216786) is 4-[(cyclopentylamino)methyl]-1-ethylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[(cyclopentylamino)methyl]-1-ethylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-[(cyclopentylamino)methyl]-1-ethylpyrazole-5-carboxylic acid is CCn1ncc(CNC2CCCC2)c1C(=O)O.
What is the InChIKey of 4-[(cyclopentylamino)methyl]-1-ethylpyrazole-5-carboxylic acid?
The InChIKey is GGOGNYITMLYZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-15-11(12(16)17)9(8-14-15)7-13-10-5-3-4-6-10/h8,10,13H,2-7H2,1H3,(H,16,17).
What are the key properties of 4-[(cyclopentylamino)methyl]-1-ethylpyrazole-5-carboxylic acid?
4-[(cyclopentylamino)methyl]-1-ethylpyrazole-5-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopentylamino)methyl]-1-ethylpyrazole-5-carboxylic acid is sourced from PubChem (CID 117216786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).