4-amino-N-butyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide

C11H20N4O2 — CID 65359533

IUPAC4-amino-N-butyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
SMILESCCCCN(CCO)C(=O)c1c(N)cnn1C
InChIInChI=1S/C11H20N4O2/c1-3-4-5-15(6-7-16)11(17)10-9(12)8-13-14(10)2/h8,16H,3-7,12H2,1-2H3
InChIKeyZBOMSIOXIQRDBX-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.24
Rot. Bonds6

About 4-amino-N-butyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide

4-amino-N-butyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide (PubChem CID 65359533) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-N-butyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
PubChem CID65359533
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-amino-N-butyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
SMILESCCCCN(CCO)C(=O)c1c(N)cnn1C
InChIInChI=1S/C11H20N4O2/c1-3-4-5-15(6-7-16)11(17)10-9(12)8-13-14(10)2/h8,16H,3-7,12H2,1-2H3
InChIKeyZBOMSIOXIQRDBX-UHFFFAOYSA-N
XLogP0.24
TPSA84.38 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 ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-butyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide (CID 65359533) is 4-amino-N-butyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-butyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide is CCCCN(CCO)C(=O)c1c(N)cnn1C.
What is the InChIKey of 4-amino-N-butyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is ZBOMSIOXIQRDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-3-4-5-15(6-7-16)11(17)10-9(12)8-13-14(10)2/h8,16H,3-7,12H2,1-2H3.
What are the key properties of 4-amino-N-butyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide?
4-amino-N-butyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 65359533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).