N-[1-(3-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine

C15H15ClN4 — CID 104730906

IUPACN-[1-(3-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NC(C)c3cccc(Cl)c3)nccn2n1
InChIInChI=1S/C15H15ClN4/c1-10-8-14-15(17-6-7-20(14)19-10)18-11(2)12-4-3-5-13(16)9-12/h3-9,11H,1-2H3,(H,17,18)
InChIKeyIKJIGQRFCGGWIP-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.86
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine

N-[1-(3-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104730906) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104730906
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NC(C)c3cccc(Cl)c3)nccn2n1
InChIInChI=1S/C15H15ClN4/c1-10-8-14-15(17-6-7-20(14)19-10)18-11(2)12-4-3-5-13(16)9-12/h3-9,11H,1-2H3,(H,17,18)
InChIKeyIKJIGQRFCGGWIP-UHFFFAOYSA-N
XLogP3.86
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104730907
N-[1-(4-ethylphenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730850
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93417245
N-[1-(3-chlorophenyl)ethyl]-1,4-dimethylimidazol-2-amine
CID 106566702
2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid
CID 60655016
N-(1-ethoxypropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 113446324
3-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-4-carbonitrile
CID 107057219
5-chloro-N-[1-(3-chlorophenyl)ethyl]-6-(1-fluoroethyl)pyrimidin-4-amine
CID 19104016
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-(2,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731637
4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80801638

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine (CID 104730906) is N-[1-(3-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine is Cc1cc2c(NC(C)c3cccc(Cl)c3)nccn2n1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is IKJIGQRFCGGWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-10-8-14-15(17-6-7-20(14)19-10)18-11(2)12-4-3-5-13(16)9-12/h3-9,11H,1-2H3,(H,17,18).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
N-[1-(3-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 286.77 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104730906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).