N-[[4-(chloromethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine

C15H15ClN4 — CID 107233154

IUPACN-[[4-(chloromethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCc3ccc(CCl)cc3)nccn2n1
InChIInChI=1S/C15H15ClN4/c1-11-8-14-15(17-6-7-20(14)19-11)18-10-13-4-2-12(9-16)3-5-13/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeyXDUPTQMRADICCW-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.39
Rot. Bonds4

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

N-[[4-(chloromethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 107233154) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is N-[[4-(chloromethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-[[4-(chloromethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID107233154
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC NameN-[[4-(chloromethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCc3ccc(CCl)cc3)nccn2n1
InChIInChI=1S/C15H15ClN4/c1-11-8-14-15(17-6-7-20(14)19-11)18-10-13-4-2-12(9-16)3-5-13/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeyXDUPTQMRADICCW-UHFFFAOYSA-N
XLogP3.39
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 133489559
4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzonitrile
CID 104730788
4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzoic acid
CID 104729300
[4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]phenyl]urea
CID 133489118
N,N-dimethyl-4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzamide
CID 133489141
N-[2-(4-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731011
N-(4-chlorobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 106845051
N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730531
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104731292
5-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]furan-2-carboxylic acid
CID 104729690
2-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104731375
N-(2,2-dimethylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730931

Frequently Asked Questions

What is the IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine (CID 107233154) is N-[[4-(chloromethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-[[4-(chloromethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-[[4-(chloromethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine is Cc1cc2c(NCc3ccc(CCl)cc3)nccn2n1.
What is the InChIKey of N-[[4-(chloromethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is XDUPTQMRADICCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-11-8-14-15(17-6-7-20(14)19-11)18-10-13-4-2-12(9-16)3-5-13/h2-8H,9-10H2,1H3,(H,17,18).
What are the key properties of N-[[4-(chloromethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
N-[[4-(chloromethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 286.77 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(chloromethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 107233154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).