4-(3-chloropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine

C11H13ClN4 — CID 104733876

IUPAC4-(3-chloropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine
SMILESCc1cc2c(N3CCC(Cl)C3)nccn2n1
InChIInChI=1S/C11H13ClN4/c1-8-6-10-11(13-3-5-16(10)14-8)15-4-2-9(12)7-15/h3,5-6,9H,2,4,7H2,1H3
InChIKeyCNEZQDXBPQRLPX-UHFFFAOYSA-N
MW236.71 g/mol
LogP1.86
Rot. Bonds1

About 4-(3-chloropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine

4-(3-chloropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine (PubChem CID 104733876) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 4-(3-chloropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-(3-chloropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine
PubChem CID104733876
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name4-(3-chloropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine
SMILESCc1cc2c(N3CCC(Cl)C3)nccn2n1
InChIInChI=1S/C11H13ClN4/c1-8-6-10-11(13-3-5-16(10)14-8)15-4-2-9(12)7-15/h3,5-6,9H,2,4,7H2,1H3
InChIKeyCNEZQDXBPQRLPX-UHFFFAOYSA-N
XLogP1.86
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 51.86
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

2-methyl-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrazine
CID 126946467
N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]acetamide
CID 133489997
1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-one
CID 104730047
4-[3-(2-chloroethyl)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 104733894
6-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 104733709
4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine-2-carboxylic acid
CID 104729453
4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine
CID 133487949
ethyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxylate
CID 104733371
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 133490284
1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N-propylpiperidin-3-amine
CID 104729270
N-[[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]propan-2-amine
CID 104733601
2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]oxyethanamine
CID 104734336

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-(3-chloropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine (CID 104733876) is 4-(3-chloropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-(3-chloropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-(3-chloropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine is Cc1cc2c(N3CCC(Cl)C3)nccn2n1.
What is the InChIKey of 4-(3-chloropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine?
The InChIKey is CNEZQDXBPQRLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-8-6-10-11(13-3-5-16(10)14-8)15-4-2-9(12)7-15/h3,5-6,9H,2,4,7H2,1H3.
What are the key properties of 4-(3-chloropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine?
4-(3-chloropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine has a molecular weight of 236.71 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 104733876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).