4-[2-(chloromethyl)piperidin-1-yl]-2-propan-2-ylpyrazolo[1,5-a]pyrazine

C15H21ClN4 — CID 104733828

IUPAC4-[2-(chloromethyl)piperidin-1-yl]-2-propan-2-ylpyrazolo[1,5-a]pyrazine
SMILESCC(C)c1cc2c(N3CCCCC3CCl)nccn2n1
InChIInChI=1S/C15H21ClN4/c1-11(2)13-9-14-15(17-6-8-20(14)18-13)19-7-4-3-5-12(19)10-16/h6,8-9,11-12H,3-5,7,10H2,1-2H3
InChIKeyXOPJRNTWFCDFTI-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.45
Rot. Bonds3

About 4-[2-(chloromethyl)piperidin-1-yl]-2-propan-2-ylpyrazolo[1,5-a]pyrazine

4-[2-(chloromethyl)piperidin-1-yl]-2-propan-2-ylpyrazolo[1,5-a]pyrazine (PubChem CID 104733828) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 4-[2-(chloromethyl)piperidin-1-yl]-2-propan-2-ylpyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[2-(chloromethyl)piperidin-1-yl]-2-propan-2-ylpyrazolo[1,5-a]pyrazine
PubChem CID104733828
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name4-[2-(chloromethyl)piperidin-1-yl]-2-propan-2-ylpyrazolo[1,5-a]pyrazine
SMILESCC(C)c1cc2c(N3CCCCC3CCl)nccn2n1
InChIInChI=1S/C15H21ClN4/c1-11(2)13-9-14-15(17-6-8-20(14)18-13)19-7-4-3-5-12(19)10-16/h6,8-9,11-12H,3-5,7,10H2,1-2H3
InChIKeyXOPJRNTWFCDFTI-UHFFFAOYSA-N
XLogP3.45
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol
CID 104733050
[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol;hydrochloride
CID 121020669
2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid
CID 104729669
4-[3-(2-bromoethyl)piperidin-1-yl]-2-propan-2-ylpyrazolo[1,5-a]pyrazine
CID 104734126
3-[2-(chloromethyl)azepan-1-yl]-1-methylpyrazin-2-one
CID 116638887
N-ethyl-1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanamine
CID 104729254
1-[1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]ethanol
CID 106837325
4-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazine
CID 104734381
[1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)azetidin-3-yl]methanamine
CID 104734304
[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol
CID 172905556
1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanone
CID 113446200
1-[2-(chloromethyl)azepan-1-yl]-6-methoxyisoquinoline
CID 106543197

Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)piperidin-1-yl]-2-propan-2-ylpyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[2-(chloromethyl)piperidin-1-yl]-2-propan-2-ylpyrazolo[1,5-a]pyrazine (CID 104733828) is 4-[2-(chloromethyl)piperidin-1-yl]-2-propan-2-ylpyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[2-(chloromethyl)piperidin-1-yl]-2-propan-2-ylpyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[2-(chloromethyl)piperidin-1-yl]-2-propan-2-ylpyrazolo[1,5-a]pyrazine is CC(C)c1cc2c(N3CCCCC3CCl)nccn2n1.
What is the InChIKey of 4-[2-(chloromethyl)piperidin-1-yl]-2-propan-2-ylpyrazolo[1,5-a]pyrazine?
The InChIKey is XOPJRNTWFCDFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-11(2)13-9-14-15(17-6-8-20(14)18-13)19-7-4-3-5-12(19)10-16/h6,8-9,11-12H,3-5,7,10H2,1-2H3.
What are the key properties of 4-[2-(chloromethyl)piperidin-1-yl]-2-propan-2-ylpyrazolo[1,5-a]pyrazine?
4-[2-(chloromethyl)piperidin-1-yl]-2-propan-2-ylpyrazolo[1,5-a]pyrazine has a molecular weight of 292.81 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloromethyl)piperidin-1-yl]-2-propan-2-ylpyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 104733828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).