1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylic acid

C8H13N3O2 — CID 43565333

IUPAC1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylic acid
SMILESCN(C)CCn1cc(C(=O)O)cn1
InChIInChI=1S/C8H13N3O2/c1-10(2)3-4-11-6-7(5-9-11)8(12)13/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyGICHVWFADSCFIL-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.14
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylic acid

1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylic acid (PubChem CID 43565333) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylic acid
PubChem CID43565333
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylic acid
SMILESCN(C)CCn1cc(C(=O)O)cn1
InChIInChI=1S/C8H13N3O2/c1-10(2)3-4-11-6-7(5-9-11)8(12)13/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyGICHVWFADSCFIL-UHFFFAOYSA-N
XLogP0.14
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propyl-1H-pyrazole-4-carboxylic acid
CID 6485386
1-Methyl-1H-pyrazole-4-carboxylic acid
CID 643160
1-ethyl-1H-pyrazole-4-carboxylic acid
CID 832221
1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
CID 784155
methyl 1-methyl-1H-pyrazole-4-carboxylate
CID 10130004
3-iodo-1-methyl-1H-pyrazole-4-carboxylic acid
CID 11414069
1-(2-chloroethyl)-1H-pyrazole-4-carboxylic acid
CID 16767335
5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid
CID 2735774
3-chloro-1-methyl-1H-pyrazole-4-carboxylic acid
CID 23361849
1-tert-Butyl-1H-pyrazole-4-carboxylic acid
CID 24696291
3-(4-methyl-1H-pyrazol-1-yl)propanoic acid
CID 4179918
1-(2,2,2-Trifluoroethyl)-1H-pyrazole-4-carboxylic acid
CID 16490804

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylic acid (CID 43565333) is 1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylic acid is CN(C)CCn1cc(C(=O)O)cn1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylic acid?
The InChIKey is GICHVWFADSCFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-10(2)3-4-11-6-7(5-9-11)8(12)13/h5-6H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylic acid?
1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 43565333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).