4-amino-N-butan-2-yl-N,1-dimethylpyrazole-5-carboxamide

C10H18N4O — CID 65355914

IUPAC4-amino-N-butan-2-yl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCC(C)N(C)C(=O)c1c(N)cnn1C
InChIInChI=1S/C10H18N4O/c1-5-7(2)13(3)10(15)9-8(11)6-12-14(9)4/h6-7H,5,11H2,1-4H3
InChIKeyZCEBQPIQMIWNDY-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.87
Rot. Bonds3

About 4-amino-N-butan-2-yl-N,1-dimethylpyrazole-5-carboxamide

4-amino-N-butan-2-yl-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 65355914) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-amino-N-butan-2-yl-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-butan-2-yl-N,1-dimethylpyrazole-5-carboxamide
PubChem CID65355914
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-amino-N-butan-2-yl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCC(C)N(C)C(=O)c1c(N)cnn1C
InChIInChI=1S/C10H18N4O/c1-5-7(2)13(3)10(15)9-8(11)6-12-14(9)4/h6-7H,5,11H2,1-4H3
InChIKeyZCEBQPIQMIWNDY-UHFFFAOYSA-N
XLogP0.87
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butan-2-yl-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-butan-2-yl-N,1-dimethylpyrazole-5-carboxamide (CID 65355914) is 4-amino-N-butan-2-yl-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-butan-2-yl-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-butan-2-yl-N,1-dimethylpyrazole-5-carboxamide is CCC(C)N(C)C(=O)c1c(N)cnn1C.
What is the InChIKey of 4-amino-N-butan-2-yl-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is ZCEBQPIQMIWNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-5-7(2)13(3)10(15)9-8(11)6-12-14(9)4/h6-7H,5,11H2,1-4H3.
What are the key properties of 4-amino-N-butan-2-yl-N,1-dimethylpyrazole-5-carboxamide?
4-amino-N-butan-2-yl-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butan-2-yl-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 65355914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).