potassium 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate

C8H12KN3O2 — CID 154702947

IUPACpotassium 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate
SMILESCN(C)CCn1nccc1C(=O)[O-].[K+]
InChIInChI=1S/C8H13N3O2.K/c1-10(2)5-6-11-7(8(12)13)3-4-9-11;/h3-4H,5-6H2,1-2H3,(H,12,13);/q;+1/p-1
InChIKeySUIWIGTVWOJVCP-UHFFFAOYSA-M
MW221.30 g/mol
LogP-4.19
Rot. Bonds4

About potassium 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate

potassium 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate (PubChem CID 154702947) has the molecular formula C8H12KN3O2 and a molecular weight of 221.30 g/mol. Its IUPAC name is potassium 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Namepotassium 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate
PubChem CID154702947
Molecular FormulaC8H12KN3O2
Molecular Weight221.30 g/mol
Exact Mass221.06
IUPAC Namepotassium 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate
SMILESCN(C)CCn1nccc1C(=O)[O-].[K+]
InChIInChI=1S/C8H13N3O2.K/c1-10(2)5-6-11-7(8(12)13)3-4-9-11;/h3-4H,5-6H2,1-2H3,(H,12,13);/q;+1/p-1
InChIKeySUIWIGTVWOJVCP-UHFFFAOYSA-M
XLogP-4.19
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 5-4.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate
CID 155487137
3-(dimethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one
CID 115345752
2-propylpyrazole-3-carboxylic acid
CID 7017775
1-N,4-N-bis[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1,4-dicarboxamide
CID 167816670
2-[5-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 170535547
2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485568
[3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 56899449
2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one
CID 103451384
2-amino-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116551709
[1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone
CID 79074268
[1-(dimethylamino)cyclohexyl]-(2-propylpyrazol-3-yl)methanone
CID 79066194
2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxylate
CID 7017629

Frequently Asked Questions

What is the IUPAC name of potassium 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate?
The IUPAC name of potassium 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate (CID 154702947) is potassium 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate.
What is the SMILES notation for potassium 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate?
The canonical SMILES for potassium 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate is CN(C)CCn1nccc1C(=O)[O-].[K+].
What is the InChIKey of potassium 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate?
The InChIKey is SUIWIGTVWOJVCP-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H13N3O2.K/c1-10(2)5-6-11-7(8(12)13)3-4-9-11;/h3-4H,5-6H2,1-2H3,(H,12,13);/q;+1/p-1.
What are the key properties of potassium 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate?
potassium 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate has a molecular weight of 221.30 g/mol, XLogP of -4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate is sourced from PubChem (CID 154702947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).