1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide

C13H20N4O2 — CID 91920116

IUPAC1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NCC2CCCCC(=O)N2)n1
InChIInChI=1S/C13H20N4O2/c1-2-17-8-7-11(16-17)13(19)14-9-10-5-3-4-6-12(18)15-10/h7-8,10H,2-6,9H2,1H3,(H,14,19)(H,15,18)
InChIKeyDARRQAUDGOMYDC-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.69
Rot. Bonds4

About 1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide

1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 91920116) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide
PubChem CID91920116
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NCC2CCCCC(=O)N2)n1
InChIInChI=1S/C13H20N4O2/c1-2-17-8-7-11(16-17)13(19)14-9-10-5-3-4-6-12(18)15-10/h7-8,10H,2-6,9H2,1H3,(H,14,19)(H,15,18)
InChIKeyDARRQAUDGOMYDC-UHFFFAOYSA-N
XLogP0.69
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide (CID 91920116) is 1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide is CCn1ccc(C(=O)NCC2CCCCC(=O)N2)n1.
What is the InChIKey of 1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is DARRQAUDGOMYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-17-8-7-11(16-17)13(19)14-9-10-5-3-4-6-12(18)15-10/h7-8,10H,2-6,9H2,1H3,(H,14,19)(H,15,18).
What are the key properties of 1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide?
1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 91920116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).