4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-3-carboxamide

C11H20N4O2 — CID 65355940

IUPAC4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCCCC(COC)NC(=O)c1nn(C)cc1N
InChIInChI=1S/C11H20N4O2/c1-4-5-8(7-17-3)13-11(16)10-9(12)6-15(2)14-10/h6,8H,4-5,7,12H2,1-3H3,(H,13,16)
InChIKeyVONOPEVDGFNNSV-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.55
Rot. Bonds6

About 4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-3-carboxamide

4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 65355940) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-3-carboxamide
PubChem CID65355940
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCCCC(COC)NC(=O)c1nn(C)cc1N
InChIInChI=1S/C11H20N4O2/c1-4-5-8(7-17-3)13-11(16)10-9(12)6-15(2)14-10/h6,8H,4-5,7,12H2,1-3H3,(H,13,16)
InChIKeyVONOPEVDGFNNSV-UHFFFAOYSA-N
XLogP0.55
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-3-carboxamide (CID 65355940) is 4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-3-carboxamide is CCCC(COC)NC(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is VONOPEVDGFNNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-5-8(7-17-3)13-11(16)10-9(12)6-15(2)14-10/h6,8H,4-5,7,12H2,1-3H3,(H,13,16).
What are the key properties of 4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-3-carboxamide?
4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65355940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).