N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide

C19H19N5O3 — CID 58465642

IUPACN-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCc1c(C(=O)N2CCn3cc(C(=O)NO)cc3C2)cnn1-c1ccccc1
InChIInChI=1S/C19H19N5O3/c1-13-17(10-20-24(13)15-5-3-2-4-6-15)19(26)23-8-7-22-11-14(18(25)21-27)9-16(22)12-23/h2-6,9-11,27H,7-8,12H2,1H3,(H,21,25)
InChIKeyURUYQPDBUAMOHM-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.76
Rot. Bonds3

About N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide

N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide (PubChem CID 58465642) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
PubChem CID58465642
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCc1c(C(=O)N2CCn3cc(C(=O)NO)cc3C2)cnn1-c1ccccc1
InChIInChI=1S/C19H19N5O3/c1-13-17(10-20-24(13)15-5-3-2-4-6-15)19(26)23-8-7-22-11-14(18(25)21-27)9-16(22)12-23/h2-6,9-11,27H,7-8,12H2,1H3,(H,21,25)
InChIKeyURUYQPDBUAMOHM-UHFFFAOYSA-N
XLogP1.76
TPSA92.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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methyl 5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide (CID 58465642) is N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide is Cc1c(C(=O)N2CCn3cc(C(=O)NO)cc3C2)cnn1-c1ccccc1.
What is the InChIKey of N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is URUYQPDBUAMOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-13-17(10-20-24(13)15-5-3-2-4-6-15)19(26)23-8-7-22-11-14(18(25)21-27)9-16(22)12-23/h2-6,9-11,27H,7-8,12H2,1H3,(H,21,25).
What are the key properties of N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 58465642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).