4-amino-N,1,3-trimethyl-N-(2-methylbutyl)pyrazole-5-carboxamide

C12H22N4O — CID 66122221

IUPAC4-amino-N,1,3-trimethyl-N-(2-methylbutyl)pyrazole-5-carboxamide
SMILESCCC(C)CN(C)C(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C12H22N4O/c1-6-8(2)7-15(4)12(17)11-10(13)9(3)14-16(11)5/h8H,6-7,13H2,1-5H3
InChIKeyQIJCPROPCWQSKH-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.43
Rot. Bonds4

About 4-amino-N,1,3-trimethyl-N-(2-methylbutyl)pyrazole-5-carboxamide

4-amino-N,1,3-trimethyl-N-(2-methylbutyl)pyrazole-5-carboxamide (PubChem CID 66122221) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-amino-N,1,3-trimethyl-N-(2-methylbutyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N,1,3-trimethyl-N-(2-methylbutyl)pyrazole-5-carboxamide
PubChem CID66122221
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-amino-N,1,3-trimethyl-N-(2-methylbutyl)pyrazole-5-carboxamide
SMILESCCC(C)CN(C)C(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C12H22N4O/c1-6-8(2)7-15(4)12(17)11-10(13)9(3)14-16(11)5/h8H,6-7,13H2,1-5H3
InChIKeyQIJCPROPCWQSKH-UHFFFAOYSA-N
XLogP1.43
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,1,3-trimethyl-N-(2-methylbutyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N,1,3-trimethyl-N-(2-methylbutyl)pyrazole-5-carboxamide (CID 66122221) is 4-amino-N,1,3-trimethyl-N-(2-methylbutyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N,1,3-trimethyl-N-(2-methylbutyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N,1,3-trimethyl-N-(2-methylbutyl)pyrazole-5-carboxamide is CCC(C)CN(C)C(=O)c1c(N)c(C)nn1C.
What is the InChIKey of 4-amino-N,1,3-trimethyl-N-(2-methylbutyl)pyrazole-5-carboxamide?
The InChIKey is QIJCPROPCWQSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-6-8(2)7-15(4)12(17)11-10(13)9(3)14-16(11)5/h8H,6-7,13H2,1-5H3.
What are the key properties of 4-amino-N,1,3-trimethyl-N-(2-methylbutyl)pyrazole-5-carboxamide?
4-amino-N,1,3-trimethyl-N-(2-methylbutyl)pyrazole-5-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,1,3-trimethyl-N-(2-methylbutyl)pyrazole-5-carboxamide is sourced from PubChem (CID 66122221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).