6-methyl-N-(3-phenylpropyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide

C21H25N5O — CID 91891304

IUPAC6-methyl-N-(3-phenylpropyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NCCCc3ccccc3)cc2c(N2CCCC2)n1
InChIInChI=1S/C21H25N5O/c1-16-15-26-19(20(23-16)25-12-5-6-13-25)14-18(24-26)21(27)22-11-7-10-17-8-3-2-4-9-17/h2-4,8-9,14-15H,5-7,10-13H2,1H3,(H,22,27)
InChIKeyPTQCFHWESMHHIA-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.00
Rot. Bonds6

About 6-methyl-N-(3-phenylpropyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide

6-methyl-N-(3-phenylpropyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91891304) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 6-methyl-N-(3-phenylpropyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(3-phenylpropyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91891304
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name6-methyl-N-(3-phenylpropyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NCCCc3ccccc3)cc2c(N2CCCC2)n1
InChIInChI=1S/C21H25N5O/c1-16-15-26-19(20(23-16)25-12-5-6-13-25)14-18(24-26)21(27)22-11-7-10-17-8-3-2-4-9-17/h2-4,8-9,14-15H,5-7,10-13H2,1H3,(H,22,27)
InChIKeyPTQCFHWESMHHIA-UHFFFAOYSA-N
XLogP3.00
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-phenylpropyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 6-methyl-N-(3-phenylpropyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91891304) is 6-methyl-N-(3-phenylpropyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-(3-phenylpropyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-methyl-N-(3-phenylpropyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1cn2nc(C(=O)NCCCc3ccccc3)cc2c(N2CCCC2)n1.
What is the InChIKey of 6-methyl-N-(3-phenylpropyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is PTQCFHWESMHHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-16-15-26-19(20(23-16)25-12-5-6-13-25)14-18(24-26)21(27)22-11-7-10-17-8-3-2-4-9-17/h2-4,8-9,14-15H,5-7,10-13H2,1H3,(H,22,27).
What are the key properties of 6-methyl-N-(3-phenylpropyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
6-methyl-N-(3-phenylpropyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-phenylpropyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91891304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).