5-amino-N-(1-ethylcyclobutyl)-1-methylpyrazole-4-carboxamide

C11H18N4O — CID 104625668

IUPAC5-amino-N-(1-ethylcyclobutyl)-1-methylpyrazole-4-carboxamide
SMILESCCC1(NC(=O)c2cnn(C)c2N)CCC1
InChIInChI=1S/C11H18N4O/c1-3-11(5-4-6-11)14-10(16)8-7-13-15(2)9(8)12/h7H,3-6,12H2,1-2H3,(H,14,16)
InChIKeyMQAZOTXOXNRXPB-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.06
Rot. Bonds3

About 5-amino-N-(1-ethylcyclobutyl)-1-methylpyrazole-4-carboxamide

5-amino-N-(1-ethylcyclobutyl)-1-methylpyrazole-4-carboxamide (PubChem CID 104625668) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-amino-N-(1-ethylcyclobutyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-ethylcyclobutyl)-1-methylpyrazole-4-carboxamide
PubChem CID104625668
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-amino-N-(1-ethylcyclobutyl)-1-methylpyrazole-4-carboxamide
SMILESCCC1(NC(=O)c2cnn(C)c2N)CCC1
InChIInChI=1S/C11H18N4O/c1-3-11(5-4-6-11)14-10(16)8-7-13-15(2)9(8)12/h7H,3-6,12H2,1-2H3,(H,14,16)
InChIKeyMQAZOTXOXNRXPB-UHFFFAOYSA-N
XLogP1.06
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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5-amino-1-methyl-N-[(1-propylcyclopropyl)methyl]pyrazole-4-carboxamide
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5-amino-N-butyl-1-methylpyrazole-4-carboxamide
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5-chloro-N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-1-methylpyrazole-4-carboxamide
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5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-ethylcyclobutyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(1-ethylcyclobutyl)-1-methylpyrazole-4-carboxamide (CID 104625668) is 5-amino-N-(1-ethylcyclobutyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(1-ethylcyclobutyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(1-ethylcyclobutyl)-1-methylpyrazole-4-carboxamide is CCC1(NC(=O)c2cnn(C)c2N)CCC1.
What is the InChIKey of 5-amino-N-(1-ethylcyclobutyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is MQAZOTXOXNRXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-11(5-4-6-11)14-10(16)8-7-13-15(2)9(8)12/h7H,3-6,12H2,1-2H3,(H,14,16).
What are the key properties of 5-amino-N-(1-ethylcyclobutyl)-1-methylpyrazole-4-carboxamide?
5-amino-N-(1-ethylcyclobutyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-ethylcyclobutyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 104625668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).