(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-piperidin-1-ylmethanone

C12H18N4O — CID 118491689

IUPAC(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-piperidin-1-ylmethanone
SMILESCc1[nH]nc2c1CN(C(=O)N1CCCCC1)C2
InChIInChI=1S/C12H18N4O/c1-9-10-7-16(8-11(10)14-13-9)12(17)15-5-3-2-4-6-15/h2-8H2,1H3,(H,13,14)
InChIKeyWPHSPMYEAPEBOR-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.64
Rot. Bonds

About (3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-piperidin-1-ylmethanone

(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-piperidin-1-ylmethanone (PubChem CID 118491689) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is (3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-piperidin-1-ylmethanone
PubChem CID118491689
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-piperidin-1-ylmethanone
SMILESCc1[nH]nc2c1CN(C(=O)N1CCCCC1)C2
InChIInChI=1S/C12H18N4O/c1-9-10-7-16(8-11(10)14-13-9)12(17)15-5-3-2-4-6-15/h2-8H2,1H3,(H,13,14)
InChIKeyWPHSPMYEAPEBOR-UHFFFAOYSA-N
XLogP1.64
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-piperidin-1-ylmethanone?
The IUPAC name of (3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-piperidin-1-ylmethanone (CID 118491689) is (3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-piperidin-1-ylmethanone is Cc1[nH]nc2c1CN(C(=O)N1CCCCC1)C2.
What is the InChIKey of (3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-piperidin-1-ylmethanone?
The InChIKey is WPHSPMYEAPEBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9-10-7-16(8-11(10)14-13-9)12(17)15-5-3-2-4-6-15/h2-8H2,1H3,(H,13,14).
What are the key properties of (3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-piperidin-1-ylmethanone?
(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-piperidin-1-ylmethanone has a molecular weight of 234.30 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 118491689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).