N-(3-amino-2-methylpropyl)-N-ethyl-5-methoxy-1-methylpyrazole-3-carboxamide

C12H22N4O2 — CID 114254970

IUPACN-(3-amino-2-methylpropyl)-N-ethyl-5-methoxy-1-methylpyrazole-3-carboxamide
SMILESCCN(CC(C)CN)C(=O)c1cc(OC)n(C)n1
InChIInChI=1S/C12H22N4O2/c1-5-16(8-9(2)7-13)12(17)10-6-11(18-4)15(3)14-10/h6,9H,5,7-8,13H2,1-4H3
InChIKeyLHZFHZFRJMQGOP-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.49
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-N-ethyl-5-methoxy-1-methylpyrazole-3-carboxamide

N-(3-amino-2-methylpropyl)-N-ethyl-5-methoxy-1-methylpyrazole-3-carboxamide (PubChem CID 114254970) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-N-ethyl-5-methoxy-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-N-ethyl-5-methoxy-1-methylpyrazole-3-carboxamide
PubChem CID114254970
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-(3-amino-2-methylpropyl)-N-ethyl-5-methoxy-1-methylpyrazole-3-carboxamide
SMILESCCN(CC(C)CN)C(=O)c1cc(OC)n(C)n1
InChIInChI=1S/C12H22N4O2/c1-5-16(8-9(2)7-13)12(17)10-6-11(18-4)15(3)14-10/h6,9H,5,7-8,13H2,1-4H3
InChIKeyLHZFHZFRJMQGOP-UHFFFAOYSA-N
XLogP0.49
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-N-ethyl-5-methoxy-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-N-ethyl-5-methoxy-1-methylpyrazole-3-carboxamide (CID 114254970) is N-(3-amino-2-methylpropyl)-N-ethyl-5-methoxy-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-N-ethyl-5-methoxy-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-N-ethyl-5-methoxy-1-methylpyrazole-3-carboxamide is CCN(CC(C)CN)C(=O)c1cc(OC)n(C)n1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-N-ethyl-5-methoxy-1-methylpyrazole-3-carboxamide?
The InChIKey is LHZFHZFRJMQGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-5-16(8-9(2)7-13)12(17)10-6-11(18-4)15(3)14-10/h6,9H,5,7-8,13H2,1-4H3.
What are the key properties of N-(3-amino-2-methylpropyl)-N-ethyl-5-methoxy-1-methylpyrazole-3-carboxamide?
N-(3-amino-2-methylpropyl)-N-ethyl-5-methoxy-1-methylpyrazole-3-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-N-ethyl-5-methoxy-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 114254970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).