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

C15H15ClN4 — CID 104731011

IUPACN-[2-(4-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCCc3ccc(Cl)cc3)nccn2n1
InChIInChI=1S/C15H15ClN4/c1-11-10-14-15(18-8-9-20(14)19-11)17-7-6-12-2-4-13(16)5-3-12/h2-5,8-10H,6-7H2,1H3,(H,17,18)
InChIKeyDKVPTVDKUQSJBC-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.35
Rot. Bonds4

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

N-[2-(4-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104731011) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104731011
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCCc3ccc(Cl)cc3)nccn2n1
InChIInChI=1S/C15H15ClN4/c1-11-10-14-15(18-8-9-20(14)19-11)17-7-6-12-2-4-13(16)5-3-12/h2-5,8-10H,6-7H2,1H3,(H,17,18)
InChIKeyDKVPTVDKUQSJBC-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 106845051
N-[[4-(chloromethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 107233154
N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 113446460
2-methyl-N-(2-propan-2-yloxyethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104762381
N-(2,2-dimethylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730931
2-methyl-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731161
N-[(4-chlorophenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730342
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
2-methyl-N-(3-phenoxypropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731310
2-methyl-N-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731976
4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzoic acid
CID 104729300

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine (CID 104731011) is N-[2-(4-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine is Cc1cc2c(NCCc3ccc(Cl)cc3)nccn2n1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is DKVPTVDKUQSJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-11-10-14-15(18-8-9-20(14)19-11)17-7-6-12-2-4-13(16)5-3-12/h2-5,8-10H,6-7H2,1H3,(H,17,18).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
N-[2-(4-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 286.77 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104731011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).