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

C20H19N5O2 — CID 23645988

IUPACN-phenyl-3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESO=C(Cc1ccccc1)Nc1n[nH]c2c1CN(C(=O)Nc1ccccc1)C2
InChIInChI=1S/C20H19N5O2/c26-18(11-14-7-3-1-4-8-14)22-19-16-12-25(13-17(16)23-24-19)20(27)21-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,27)(H2,22,23,24,26)
InChIKeyQAROPOMHRWJDMK-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.14
Rot. Bonds4

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

N-phenyl-3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 23645988) has the molecular formula C20H19N5O2 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-phenyl-3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-phenyl-3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
PubChem CID23645988
Molecular FormulaC20H19N5O2
Molecular Weight361.40 g/mol
Exact Mass361.15
IUPAC NameN-phenyl-3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESO=C(Cc1ccccc1)Nc1n[nH]c2c1CN(C(=O)Nc1ccccc1)C2
InChIInChI=1S/C20H19N5O2/c26-18(11-14-7-3-1-4-8-14)22-19-16-12-25(13-17(16)23-24-19)20(27)21-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,27)(H2,22,23,24,26)
InChIKeyQAROPOMHRWJDMK-UHFFFAOYSA-N
XLogP3.14
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The IUPAC name of N-phenyl-3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (CID 23645988) is N-phenyl-3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-phenyl-3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The canonical SMILES for N-phenyl-3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is O=C(Cc1ccccc1)Nc1n[nH]c2c1CN(C(=O)Nc1ccccc1)C2.
What is the InChIKey of N-phenyl-3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The InChIKey is QAROPOMHRWJDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-18(11-14-7-3-1-4-8-14)22-19-16-12-25(13-17(16)23-24-19)20(27)21-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,27)(H2,22,23,24,26).
What are the key properties of N-phenyl-3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
N-phenyl-3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 23645988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).