N-(4-chlorobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine

C11H15ClN4 — CID 106845051

IUPACN-(4-chlorobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCCCCCl)nccn2n1
InChIInChI=1S/C11H15ClN4/c1-9-8-10-11(13-5-3-2-4-12)14-6-7-16(10)15-9/h6-8H,2-5H2,1H3,(H,13,14)
InChIKeyDPFQGQDFEPWYJK-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.47
Rot. Bonds5

About N-(4-chlorobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine

N-(4-chlorobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 106845051) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is N-(4-chlorobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(4-chlorobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID106845051
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC NameN-(4-chlorobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCCCCCl)nccn2n1
InChIInChI=1S/C11H15ClN4/c1-9-8-10-11(13-5-3-2-4-12)14-6-7-16(10)15-9/h6-8H,2-5H2,1H3,(H,13,14)
InChIKeyDPFQGQDFEPWYJK-UHFFFAOYSA-N
XLogP2.47
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(4-chlorobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine (CID 106845051) is N-(4-chlorobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(4-chlorobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(4-chlorobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine is Cc1cc2c(NCCCCCl)nccn2n1.
What is the InChIKey of N-(4-chlorobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is DPFQGQDFEPWYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4/c1-9-8-10-11(13-5-3-2-4-12)14-6-7-16(10)15-9/h6-8H,2-5H2,1H3,(H,13,14).
What are the key properties of N-(4-chlorobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
N-(4-chlorobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 238.72 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 106845051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).