1-ethyl-5-(piperidin-1-ylmethyl)pyrazole-3-carboxylic acid

C12H19N3O2 — CID 117217240

IUPAC1-ethyl-5-(piperidin-1-ylmethyl)pyrazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)cc1CN1CCCCC1
InChIInChI=1S/C12H19N3O2/c1-2-15-10(8-11(13-15)12(16)17)9-14-6-4-3-5-7-14/h8H,2-7,9H2,1H3,(H,16,17)
InChIKeyHWHUEEVLHAFDBF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.59
Rot. Bonds4

About 1-ethyl-5-(piperidin-1-ylmethyl)pyrazole-3-carboxylic acid

1-ethyl-5-(piperidin-1-ylmethyl)pyrazole-3-carboxylic acid (PubChem CID 117217240) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-ethyl-5-(piperidin-1-ylmethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-(piperidin-1-ylmethyl)pyrazole-3-carboxylic acid
PubChem CID117217240
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-ethyl-5-(piperidin-1-ylmethyl)pyrazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)cc1CN1CCCCC1
InChIInChI=1S/C12H19N3O2/c1-2-15-10(8-11(13-15)12(16)17)9-14-6-4-3-5-7-14/h8H,2-7,9H2,1H3,(H,16,17)
InChIKeyHWHUEEVLHAFDBF-UHFFFAOYSA-N
XLogP1.59
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-(ethylsulfonylmethyl)pyrazole-3-carboxylic acid
CID 117217264
1-ethyl-5-[(propan-2-ylamino)methyl]pyrazole-3-carboxylic acid
CID 117217373
1-ethyl-5-(propan-2-ylsulfanylmethyl)pyrazole-3-carboxylic acid
CID 117217375
5-(azepan-1-ylmethyl)-1-ethylpyrazole-4-carboxylic acid
CID 117217894
1-ethyl-5-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 117217340
5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxylic acid
CID 136574698
5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid
CID 117218440
1-ethyl-5-(2-methylpropoxy)pyrazole-3-carboxylic acid
CID 129452326
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperazine
CID 25248518
3-amino-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 107324856
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
CID 81115265
5-(1,3-dihydroisoindol-2-ylmethyl)-1-methylpyrazole-3-carboxylic acid
CID 117217117

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(piperidin-1-ylmethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-ethyl-5-(piperidin-1-ylmethyl)pyrazole-3-carboxylic acid (CID 117217240) is 1-ethyl-5-(piperidin-1-ylmethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-(piperidin-1-ylmethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-ethyl-5-(piperidin-1-ylmethyl)pyrazole-3-carboxylic acid is CCn1nc(C(=O)O)cc1CN1CCCCC1.
What is the InChIKey of 1-ethyl-5-(piperidin-1-ylmethyl)pyrazole-3-carboxylic acid?
The InChIKey is HWHUEEVLHAFDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-15-10(8-11(13-15)12(16)17)9-14-6-4-3-5-7-14/h8H,2-7,9H2,1H3,(H,16,17).
What are the key properties of 1-ethyl-5-(piperidin-1-ylmethyl)pyrazole-3-carboxylic acid?
1-ethyl-5-(piperidin-1-ylmethyl)pyrazole-3-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(piperidin-1-ylmethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 117217240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).