3-iodo-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide

C9H13IN4O — CID 10087338

IUPAC3-iodo-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCC(C)NC(=O)N1Cc2[nH]nc(I)c2C1
InChIInChI=1S/C9H13IN4O/c1-5(2)11-9(15)14-3-6-7(4-14)12-13-8(6)10/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyHBQWKWKECRVOMV-UHFFFAOYSA-N
MW320.13 g/mol
LogP1.45
Rot. Bonds1

About 3-iodo-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide

3-iodo-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 10087338) has the molecular formula C9H13IN4O and a molecular weight of 320.13 g/mol. Its IUPAC name is 3-iodo-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-iodo-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
PubChem CID10087338
Molecular FormulaC9H13IN4O
Molecular Weight320.13 g/mol
Exact Mass320.01
IUPAC Name3-iodo-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCC(C)NC(=O)N1Cc2[nH]nc(I)c2C1
InChIInChI=1S/C9H13IN4O/c1-5(2)11-9(15)14-3-6-7(4-14)12-13-8(6)10/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyHBQWKWKECRVOMV-UHFFFAOYSA-N
XLogP1.45
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The IUPAC name of 3-iodo-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (CID 10087338) is 3-iodo-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-iodo-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-iodo-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is CC(C)NC(=O)N1Cc2[nH]nc(I)c2C1.
What is the InChIKey of 3-iodo-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The InChIKey is HBQWKWKECRVOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN4O/c1-5(2)11-9(15)14-3-6-7(4-14)12-13-8(6)10/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13).
What are the key properties of 3-iodo-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
3-iodo-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 320.13 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 10087338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).