N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1-ethoxycyclopentane-1-carboxamide

C14H21N3O2 — CID 146105900

IUPACN-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1-ethoxycyclopentane-1-carboxamide
SMILESCCOC1(C(=O)Nc2cc3n(n2)CCC3)CCCC1
InChIInChI=1S/C14H21N3O2/c1-2-19-14(7-3-4-8-14)13(18)15-12-10-11-6-5-9-17(11)16-12/h10H,2-9H2,1H3,(H,15,16,18)
InChIKeyQSPKBQJRLWEPCK-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.12
Rot. Bonds4

About N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1-ethoxycyclopentane-1-carboxamide

N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1-ethoxycyclopentane-1-carboxamide (PubChem CID 146105900) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1-ethoxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1-ethoxycyclopentane-1-carboxamide
PubChem CID146105900
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1-ethoxycyclopentane-1-carboxamide
SMILESCCOC1(C(=O)Nc2cc3n(n2)CCC3)CCCC1
InChIInChI=1S/C14H21N3O2/c1-2-19-14(7-3-4-8-14)13(18)15-12-10-11-6-5-9-17(11)16-12/h10H,2-9H2,1H3,(H,15,16,18)
InChIKeyQSPKBQJRLWEPCK-UHFFFAOYSA-N
XLogP2.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1-ethoxycyclopentane-1-carboxamide?
The IUPAC name of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1-ethoxycyclopentane-1-carboxamide (CID 146105900) is N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1-ethoxycyclopentane-1-carboxamide.
What is the SMILES notation for N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1-ethoxycyclopentane-1-carboxamide?
The canonical SMILES for N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1-ethoxycyclopentane-1-carboxamide is CCOC1(C(=O)Nc2cc3n(n2)CCC3)CCCC1.
What is the InChIKey of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1-ethoxycyclopentane-1-carboxamide?
The InChIKey is QSPKBQJRLWEPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-19-14(7-3-4-8-14)13(18)15-12-10-11-6-5-9-17(11)16-12/h10H,2-9H2,1H3,(H,15,16,18).
What are the key properties of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1-ethoxycyclopentane-1-carboxamide?
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1-ethoxycyclopentane-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1-ethoxycyclopentane-1-carboxamide is sourced from PubChem (CID 146105900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).