N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide

C16H25N3O2 — CID 128653138

IUPACN-[2-(1-hydroxycyclopentyl)-2-methylpropyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
SMILESCC(C)(CNC(=O)c1cnn2c1CCC2)C1(O)CCCC1
InChIInChI=1S/C16H25N3O2/c1-15(2,16(21)7-3-4-8-16)11-17-14(20)12-10-18-19-9-5-6-13(12)19/h10,21H,3-9,11H2,1-2H3,(H,17,20)
InChIKeyIXMYRQDRBZMVBA-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.89
Rot. Bonds4

About N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide

N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide (PubChem CID 128653138) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-hydroxycyclopentyl)-2-methylpropyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
PubChem CID128653138
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[2-(1-hydroxycyclopentyl)-2-methylpropyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
SMILESCC(C)(CNC(=O)c1cnn2c1CCC2)C1(O)CCCC1
InChIInChI=1S/C16H25N3O2/c1-15(2,16(21)7-3-4-8-16)11-17-14(20)12-10-18-19-9-5-6-13(12)19/h10,21H,3-9,11H2,1-2H3,(H,17,20)
InChIKeyIXMYRQDRBZMVBA-UHFFFAOYSA-N
XLogP1.89
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
The IUPAC name of N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide (CID 128653138) is N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide is CC(C)(CNC(=O)c1cnn2c1CCC2)C1(O)CCCC1.
What is the InChIKey of N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
The InChIKey is IXMYRQDRBZMVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-15(2,16(21)7-3-4-8-16)11-17-14(20)12-10-18-19-9-5-6-13(12)19/h10,21H,3-9,11H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide is sourced from PubChem (CID 128653138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).