N',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide

C13H22N4O2 — CID 75425496

IUPACN',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide
SMILESCCN(CC)C(=O)CCC(=O)NCc1cn[nH]c1C
InChIInChI=1S/C13H22N4O2/c1-4-17(5-2)13(19)7-6-12(18)14-8-11-9-15-16-10(11)3/h9H,4-8H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyAWCNLRZHEJZWOE-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.98
Rot. Bonds7

About N',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide

N',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide (PubChem CID 75425496) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide.

Molecular Properties

Compound NameN',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide
PubChem CID75425496
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide
SMILESCCN(CC)C(=O)CCC(=O)NCc1cn[nH]c1C
InChIInChI=1S/C13H22N4O2/c1-4-17(5-2)13(19)7-6-12(18)14-8-11-9-15-16-10(11)3/h9H,4-8H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyAWCNLRZHEJZWOE-UHFFFAOYSA-N
XLogP0.98
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide?
The IUPAC name of N',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide (CID 75425496) is N',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide.
What is the SMILES notation for N',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide?
The canonical SMILES for N',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide is CCN(CC)C(=O)CCC(=O)NCc1cn[nH]c1C.
What is the InChIKey of N',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide?
The InChIKey is AWCNLRZHEJZWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-17(5-2)13(19)7-6-12(18)14-8-11-9-15-16-10(11)3/h9H,4-8H2,1-3H3,(H,14,18)(H,15,16).
What are the key properties of N',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide?
N',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide has a molecular weight of 266.34 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide is sourced from PubChem (CID 75425496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).