N-cyclopentyl-N'-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]butanediamide

C16H26N4O3 — CID 46995765

IUPACN-cyclopentyl-N'-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]butanediamide
SMILESCOCC(NC(=O)CCC(=O)NC1CCCC1)c1ccnn1C
InChIInChI=1S/C16H26N4O3/c1-20-14(9-10-17-20)13(11-23-2)19-16(22)8-7-15(21)18-12-5-3-4-6-12/h9-10,12-13H,3-8,11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyKPPQQSYASCAUHG-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.06
Rot. Bonds8

About N-cyclopentyl-N'-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]butanediamide

N-cyclopentyl-N'-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]butanediamide (PubChem CID 46995765) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-cyclopentyl-N'-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]butanediamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]butanediamide
PubChem CID46995765
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-cyclopentyl-N'-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]butanediamide
SMILESCOCC(NC(=O)CCC(=O)NC1CCCC1)c1ccnn1C
InChIInChI=1S/C16H26N4O3/c1-20-14(9-10-17-20)13(11-23-2)19-16(22)8-7-15(21)18-12-5-3-4-6-12/h9-10,12-13H,3-8,11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyKPPQQSYASCAUHG-UHFFFAOYSA-N
XLogP1.06
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]butanediamide?
The IUPAC name of N-cyclopentyl-N'-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]butanediamide (CID 46995765) is N-cyclopentyl-N'-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]butanediamide.
What is the SMILES notation for N-cyclopentyl-N'-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]butanediamide?
The canonical SMILES for N-cyclopentyl-N'-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]butanediamide is COCC(NC(=O)CCC(=O)NC1CCCC1)c1ccnn1C.
What is the InChIKey of N-cyclopentyl-N'-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]butanediamide?
The InChIKey is KPPQQSYASCAUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-20-14(9-10-17-20)13(11-23-2)19-16(22)8-7-15(21)18-12-5-3-4-6-12/h9-10,12-13H,3-8,11H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-cyclopentyl-N'-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]butanediamide?
N-cyclopentyl-N'-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]butanediamide has a molecular weight of 322.41 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]butanediamide is sourced from PubChem (CID 46995765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).