N-[2-[ethyl(methyl)amino]butyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide

C16H30N4O — CID 70730086

IUPACN-[2-[ethyl(methyl)amino]butyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCCC(CNC(=O)c1cc(CC(C)C)nn1C)N(C)CC
InChIInChI=1S/C16H30N4O/c1-7-14(19(5)8-2)11-17-16(21)15-10-13(9-12(3)4)18-20(15)6/h10,12,14H,7-9,11H2,1-6H3,(H,17,21)
InChIKeyGSFIZBHVLOERGP-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.08
Rot. Bonds8

About N-[2-[ethyl(methyl)amino]butyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide

N-[2-[ethyl(methyl)amino]butyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 70730086) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]butyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)amino]butyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID70730086
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-[2-[ethyl(methyl)amino]butyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCCC(CNC(=O)c1cc(CC(C)C)nn1C)N(C)CC
InChIInChI=1S/C16H30N4O/c1-7-14(19(5)8-2)11-17-16(21)15-10-13(9-12(3)4)18-20(15)6/h10,12,14H,7-9,11H2,1-6H3,(H,17,21)
InChIKeyGSFIZBHVLOERGP-UHFFFAOYSA-N
XLogP2.08
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]butyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of N-[2-[ethyl(methyl)amino]butyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide (CID 70730086) is N-[2-[ethyl(methyl)amino]butyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[ethyl(methyl)amino]butyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[ethyl(methyl)amino]butyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide is CCC(CNC(=O)c1cc(CC(C)C)nn1C)N(C)CC.
What is the InChIKey of N-[2-[ethyl(methyl)amino]butyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is GSFIZBHVLOERGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-7-14(19(5)8-2)11-17-16(21)15-10-13(9-12(3)4)18-20(15)6/h10,12,14H,7-9,11H2,1-6H3,(H,17,21).
What are the key properties of N-[2-[ethyl(methyl)amino]butyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
N-[2-[ethyl(methyl)amino]butyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)amino]butyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70730086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).