N-(1-chloro-3-methoxypropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine

C11H15ClN4O — CID 106181719

IUPACN-(1-chloro-3-methoxypropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCOCC(CCl)Nc1nccn2nc(C)cc12
InChIInChI=1S/C11H15ClN4O/c1-8-5-10-11(13-3-4-16(10)15-8)14-9(6-12)7-17-2/h3-5,9H,6-7H2,1-2H3,(H,13,14)
InChIKeyALHUAYOJRCUTPQ-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.70
Rot. Bonds5

About N-(1-chloro-3-methoxypropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine

N-(1-chloro-3-methoxypropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 106181719) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is N-(1-chloro-3-methoxypropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(1-chloro-3-methoxypropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID106181719
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC NameN-(1-chloro-3-methoxypropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCOCC(CCl)Nc1nccn2nc(C)cc12
InChIInChI=1S/C11H15ClN4O/c1-8-5-10-11(13-3-4-16(10)15-8)14-9(6-12)7-17-2/h3-5,9H,6-7H2,1-2H3,(H,13,14)
InChIKeyALHUAYOJRCUTPQ-UHFFFAOYSA-N
XLogP1.70
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-1-methoxybutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 106153686
N-(4-methoxybutan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731642
2-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,2-diamine
CID 104732620
N-(1-ethoxypropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 113446324
2-methyl-N-(2-propan-2-yloxyethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104762381
N-(4-chlorobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 106845051
N-(1,3-dichloro-2-methylpropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104734163
N-(4-methoxybutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731643
N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine
CID 104731385
4-methoxy-2-methyl-1-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-2-ol
CID 106253692
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 133489559
2-methyl-N-octan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731079

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine (CID 106181719) is N-(1-chloro-3-methoxypropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(1-chloro-3-methoxypropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(1-chloro-3-methoxypropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine is COCC(CCl)Nc1nccn2nc(C)cc12.
What is the InChIKey of N-(1-chloro-3-methoxypropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is ALHUAYOJRCUTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-8-5-10-11(13-3-4-16(10)15-8)14-9(6-12)7-17-2/h3-5,9H,6-7H2,1-2H3,(H,13,14).
What are the key properties of N-(1-chloro-3-methoxypropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
N-(1-chloro-3-methoxypropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 254.72 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methoxypropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 106181719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).