N-(2-oxoazepan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide

C13H20N4O2 — CID 70740073

IUPACN-(2-oxoazepan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC2CCCCNC2=O)n[nH]1
InChIInChI=1S/C13H20N4O2/c1-2-5-9-8-11(17-16-9)13(19)15-10-6-3-4-7-14-12(10)18/h8,10H,2-7H2,1H3,(H,14,18)(H,15,19)(H,16,17)
InChIKeyPHMOIYSCHCZOMG-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.76
Rot. Bonds4

About N-(2-oxoazepan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide

N-(2-oxoazepan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 70740073) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID70740073
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(2-oxoazepan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC2CCCCNC2=O)n[nH]1
InChIInChI=1S/C13H20N4O2/c1-2-5-9-8-11(17-16-9)13(19)15-10-6-3-4-7-14-12(10)18/h8,10H,2-7H2,1H3,(H,14,18)(H,15,19)(H,16,17)
InChIKeyPHMOIYSCHCZOMG-UHFFFAOYSA-N
XLogP0.76
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-oxoazepan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide (CID 70740073) is N-(2-oxoazepan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)NC2CCCCNC2=O)n[nH]1.
What is the InChIKey of N-(2-oxoazepan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is PHMOIYSCHCZOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-5-9-8-11(17-16-9)13(19)15-10-6-3-4-7-14-12(10)18/h8,10H,2-7H2,1H3,(H,14,18)(H,15,19)(H,16,17).
What are the key properties of N-(2-oxoazepan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide?
N-(2-oxoazepan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 70740073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).