N-[(4R)-2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]acetamide

C9H13N3O — CID 167308030

IUPACN-[(4R)-2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]acetamide
SMILESCC(=O)N[C@@H]1CCn2nc(C)cc21
InChIInChI=1S/C9H13N3O/c1-6-5-9-8(10-7(2)13)3-4-12(9)11-6/h5,8H,3-4H2,1-2H3,(H,10,13)/t8-/m1/s1
InChIKeySWCINRZGZCADDO-MRVPVSSYSA-N
MW179.22 g/mol
LogP0.77
Rot. Bonds1

About N-[(4R)-2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]acetamide

N-[(4R)-2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]acetamide (PubChem CID 167308030) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[(4R)-2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4R)-2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]acetamide
PubChem CID167308030
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-[(4R)-2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]acetamide
SMILESCC(=O)N[C@@H]1CCn2nc(C)cc21
InChIInChI=1S/C9H13N3O/c1-6-5-9-8(10-7(2)13)3-4-12(9)11-6/h5,8H,3-4H2,1-2H3,(H,10,13)/t8-/m1/s1
InChIKeySWCINRZGZCADDO-MRVPVSSYSA-N
XLogP0.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]acetamide?
The IUPAC name of N-[(4R)-2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]acetamide (CID 167308030) is N-[(4R)-2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(4R)-2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]acetamide?
The canonical SMILES for N-[(4R)-2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]acetamide is CC(=O)N[C@@H]1CCn2nc(C)cc21.
What is the InChIKey of N-[(4R)-2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]acetamide?
The InChIKey is SWCINRZGZCADDO-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-5-9-8(10-7(2)13)3-4-12(9)11-6/h5,8H,3-4H2,1-2H3,(H,10,13)/t8-/m1/s1.
What are the key properties of N-[(4R)-2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]acetamide?
N-[(4R)-2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]acetamide has a molecular weight of 179.22 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]acetamide is sourced from PubChem (CID 167308030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).