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

C14H19ClN4 — CID 104733894

IUPAC4-[3-(2-chloroethyl)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
SMILESCc1cc2c(N3CCCC(CCCl)C3)nccn2n1
InChIInChI=1S/C14H19ClN4/c1-11-9-13-14(16-6-8-19(13)17-11)18-7-2-3-12(10-18)4-5-15/h6,8-9,12H,2-5,7,10H2,1H3
InChIKeyOAFDQQLLVNTLMM-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.88
Rot. Bonds3

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

4-[3-(2-chloroethyl)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine (PubChem CID 104733894) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 4-[3-(2-chloroethyl)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[3-(2-chloroethyl)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
PubChem CID104733894
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name4-[3-(2-chloroethyl)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
SMILESCc1cc2c(N3CCCC(CCCl)C3)nccn2n1
InChIInChI=1S/C14H19ClN4/c1-11-9-13-14(16-6-8-19(13)17-11)18-7-2-3-12(10-18)4-5-15/h6,8-9,12H,2-5,7,10H2,1H3
InChIKeyOAFDQQLLVNTLMM-UHFFFAOYSA-N
XLogP2.88
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.88
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

4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 163352971
4-(3-chloropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine
CID 104733876
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-3-yl]acetamide
CID 133489997
4-[3-(2-bromoethyl)piperidin-1-yl]-2-propan-2-ylpyrazolo[1,5-a]pyrazine
CID 104734126
N-methyl-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]methanesulfonamide
CID 166603510
N-[[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]propan-2-amine
CID 104733601
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 133490284
2-methyl-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrazine
CID 126946467
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-[3-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 55185138
[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol;hydrochloride
CID 121020669

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chloroethyl)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[3-(2-chloroethyl)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine (CID 104733894) is 4-[3-(2-chloroethyl)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[3-(2-chloroethyl)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[3-(2-chloroethyl)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine is Cc1cc2c(N3CCCC(CCCl)C3)nccn2n1.
What is the InChIKey of 4-[3-(2-chloroethyl)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine?
The InChIKey is OAFDQQLLVNTLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-11-9-13-14(16-6-8-19(13)17-11)18-7-2-3-12(10-18)4-5-15/h6,8-9,12H,2-5,7,10H2,1H3.
What are the key properties of 4-[3-(2-chloroethyl)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine?
4-[3-(2-chloroethyl)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine has a molecular weight of 278.79 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chloroethyl)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 104733894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).