5-(ethylaminomethyl)-1-propan-2-ylpyrazole-4-carboxylic acid

C10H17N3O2 — CID 117218029

IUPAC5-(ethylaminomethyl)-1-propan-2-ylpyrazole-4-carboxylic acid
SMILESCCNCc1c(C(=O)O)cnn1C(C)C
InChIInChI=1S/C10H17N3O2/c1-4-11-6-9-8(10(14)15)5-12-13(9)7(2)3/h5,7,11H,4,6H2,1-3H3,(H,14,15)
InChIKeyHTYNGRNFZZQELT-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.27
Rot. Bonds5

About 5-(ethylaminomethyl)-1-propan-2-ylpyrazole-4-carboxylic acid

5-(ethylaminomethyl)-1-propan-2-ylpyrazole-4-carboxylic acid (PubChem CID 117218029) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-1-propan-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(ethylaminomethyl)-1-propan-2-ylpyrazole-4-carboxylic acid
PubChem CID117218029
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-(ethylaminomethyl)-1-propan-2-ylpyrazole-4-carboxylic acid
SMILESCCNCc1c(C(=O)O)cnn1C(C)C
InChIInChI=1S/C10H17N3O2/c1-4-11-6-9-8(10(14)15)5-12-13(9)7(2)3/h5,7,11H,4,6H2,1-3H3,(H,14,15)
InChIKeyHTYNGRNFZZQELT-UHFFFAOYSA-N
XLogP1.27
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-Dimethyl-1H-pyrazole-4-carboxylic acid
CID 1273303
1,3-dimethyl-1H-pyrazole-4-carboxylic acid
CID 1273304
5-Methyl-1-propyl-1H-pyrazole-4-carboxylic acid
CID 646418
1-ethyl-5-methyl-1H-pyrazole-4-carboxylic acid
CID 1075882
1-Ethyl-3-methyl-1H-pyrazole-4-carboxylic acid
CID 1075881
5-methyl-1-(pentan-3-yl)-1H-pyrazole-4-carboxylic acid
CID 61270534
3-methyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
CID 14277911
1-butyl-3-methyl-1H-pyrazole-4-carboxylic acid
CID 14277913
1-(1,1-Dimethylethyl)-3-methyl-1H-pyrazole-4-carboxylic acid
CID 14277914
3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxylic acid
CID 14329434
1-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxylic acid
CID 16777620
1-(2,2-difluoroethyl)-3-methyl-1H-pyrazole-4-carboxylic acid
CID 19622823

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-1-propan-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(ethylaminomethyl)-1-propan-2-ylpyrazole-4-carboxylic acid (CID 117218029) is 5-(ethylaminomethyl)-1-propan-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(ethylaminomethyl)-1-propan-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(ethylaminomethyl)-1-propan-2-ylpyrazole-4-carboxylic acid is CCNCc1c(C(=O)O)cnn1C(C)C.
What is the InChIKey of 5-(ethylaminomethyl)-1-propan-2-ylpyrazole-4-carboxylic acid?
The InChIKey is HTYNGRNFZZQELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-11-6-9-8(10(14)15)5-12-13(9)7(2)3/h5,7,11H,4,6H2,1-3H3,(H,14,15).
What are the key properties of 5-(ethylaminomethyl)-1-propan-2-ylpyrazole-4-carboxylic acid?
5-(ethylaminomethyl)-1-propan-2-ylpyrazole-4-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-1-propan-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 117218029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).