5-(3,3-dimethylbutyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C19H27N5O — CID 50957883

IUPAC5-(3,3-dimethylbutyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCC(C)(C)CCN1CCn2nc(C(=O)NCc3ccccn3)cc2C1
InChIInChI=1S/C19H27N5O/c1-19(2,3)7-9-23-10-11-24-16(14-23)12-17(22-24)18(25)21-13-15-6-4-5-8-20-15/h4-6,8,12H,7,9-11,13-14H2,1-3H3,(H,21,25)
InChIKeyPJAULXRFSCQQCI-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.46
Rot. Bonds5

About 5-(3,3-dimethylbutyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

5-(3,3-dimethylbutyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 50957883) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 5-(3,3-dimethylbutyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3,3-dimethylbutyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID50957883
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name5-(3,3-dimethylbutyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCC(C)(C)CCN1CCn2nc(C(=O)NCc3ccccn3)cc2C1
InChIInChI=1S/C19H27N5O/c1-19(2,3)7-9-23-10-11-24-16(14-23)12-17(22-24)18(25)21-13-15-6-4-5-8-20-15/h4-6,8,12H,7,9-11,13-14H2,1-3H3,(H,21,25)
InChIKeyPJAULXRFSCQQCI-UHFFFAOYSA-N
XLogP2.46
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-ethylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 56722158
5-(oxolan-3-ylmethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 56714336
N-[2-(dimethylamino)ethyl]-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 56719048
6-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109116486
3-(4-methylpiperazin-1-yl)-3-oxo-N-(pyridin-2-ylmethyl)propanamide
CID 108944337
5-[(2-methoxyphenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077535
4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109204576
1-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19578739
2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95311404
4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212679
5-(3-fluorophenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 46104880
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(1H-imidazol-2-yl)benzamide
CID 118795304

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-(3,3-dimethylbutyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 50957883) is 5-(3,3-dimethylbutyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3,3-dimethylbutyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-(3,3-dimethylbutyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is CC(C)(C)CCN1CCn2nc(C(=O)NCc3ccccn3)cc2C1.
What is the InChIKey of 5-(3,3-dimethylbutyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is PJAULXRFSCQQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-19(2,3)7-9-23-10-11-24-16(14-23)12-17(22-24)18(25)21-13-15-6-4-5-8-20-15/h4-6,8,12H,7,9-11,13-14H2,1-3H3,(H,21,25).
What are the key properties of 5-(3,3-dimethylbutyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
5-(3,3-dimethylbutyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 50957883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).