3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide

C14H15N5O2 — CID 23645989

IUPAC3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESNC(=O)N1Cc2[nH]nc(NC(=O)Cc3ccccc3)c2C1
InChIInChI=1S/C14H15N5O2/c15-14(21)19-7-10-11(8-19)17-18-13(10)16-12(20)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,15,21)(H2,16,17,18,20)
InChIKeyAMPGTDPLFIQJLI-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.99
Rot. Bonds3

About 3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide

3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 23645989) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
PubChem CID23645989
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESNC(=O)N1Cc2[nH]nc(NC(=O)Cc3ccccc3)c2C1
InChIInChI=1S/C14H15N5O2/c15-14(21)19-7-10-11(8-19)17-18-13(10)16-12(20)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,15,21)(H2,16,17,18,20)
InChIKeyAMPGTDPLFIQJLI-UHFFFAOYSA-N
XLogP0.99
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The IUPAC name of 3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (CID 23645989) is 3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is NC(=O)N1Cc2[nH]nc(NC(=O)Cc3ccccc3)c2C1.
What is the InChIKey of 3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The InChIKey is AMPGTDPLFIQJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c15-14(21)19-7-10-11(8-19)17-18-13(10)16-12(20)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,15,21)(H2,16,17,18,20).
What are the key properties of 3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 23645989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).