1-ethyl-5-[(propan-2-ylamino)methyl]pyrazole-3-carboxylic acid

C10H17N3O2 — CID 117217373

IUPAC1-ethyl-5-[(propan-2-ylamino)methyl]pyrazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)cc1CNC(C)C
InChIInChI=1S/C10H17N3O2/c1-4-13-8(6-11-7(2)3)5-9(12-13)10(14)15/h5,7,11H,4,6H2,1-3H3,(H,14,15)
InChIKeyLZYZMWLOXMACGN-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.10
Rot. Bonds5

About 1-ethyl-5-[(propan-2-ylamino)methyl]pyrazole-3-carboxylic acid

1-ethyl-5-[(propan-2-ylamino)methyl]pyrazole-3-carboxylic acid (PubChem CID 117217373) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-ethyl-5-[(propan-2-ylamino)methyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-[(propan-2-ylamino)methyl]pyrazole-3-carboxylic acid
PubChem CID117217373
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-ethyl-5-[(propan-2-ylamino)methyl]pyrazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)cc1CNC(C)C
InChIInChI=1S/C10H17N3O2/c1-4-13-8(6-11-7(2)3)5-9(12-13)10(14)15/h5,7,11H,4,6H2,1-3H3,(H,14,15)
InChIKeyLZYZMWLOXMACGN-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-(propan-2-ylsulfanylmethyl)pyrazole-3-carboxylic acid
CID 117217375
1-ethyl-5-(ethylsulfonylmethyl)pyrazole-3-carboxylic acid
CID 117217264
1-ethyl-5-(piperidin-1-ylmethyl)pyrazole-3-carboxylic acid
CID 117217240
1-ethyl-5-(2-methylpropoxy)pyrazole-3-carboxylic acid
CID 129452326
1-ethyl-5-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 117217340
5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxylic acid
CID 136574698
1-(2-ethyl-5-methylpyrazol-3-yl)-3-(propan-2-ylamino)propan-2-one
CID 116554959
1-(3-methylbutyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 95453937
5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid
CID 117218440
1-(2-methylprop-2-enyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 82286953
1-methyl-5-(methylaminomethyl)pyrazole-3-carboxylic acid
CID 117217130
1-ethyl-5-(4-ethylphenyl)pyrazole-3-carboxylic acid
CID 45037411

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(propan-2-ylamino)methyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-ethyl-5-[(propan-2-ylamino)methyl]pyrazole-3-carboxylic acid (CID 117217373) is 1-ethyl-5-[(propan-2-ylamino)methyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-[(propan-2-ylamino)methyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-ethyl-5-[(propan-2-ylamino)methyl]pyrazole-3-carboxylic acid is CCn1nc(C(=O)O)cc1CNC(C)C.
What is the InChIKey of 1-ethyl-5-[(propan-2-ylamino)methyl]pyrazole-3-carboxylic acid?
The InChIKey is LZYZMWLOXMACGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-13-8(6-11-7(2)3)5-9(12-13)10(14)15/h5,7,11H,4,6H2,1-3H3,(H,14,15).
What are the key properties of 1-ethyl-5-[(propan-2-ylamino)methyl]pyrazole-3-carboxylic acid?
1-ethyl-5-[(propan-2-ylamino)methyl]pyrazole-3-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(propan-2-ylamino)methyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 117217373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).