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

C14H13ClN4 — CID 104730907

IUPACN-[1-(3-chlorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(Nc1nccn2nccc12)c1cccc(Cl)c1
InChIInChI=1S/C14H13ClN4/c1-10(11-3-2-4-12(15)9-11)18-14-13-5-6-17-19(13)8-7-16-14/h2-10H,1H3,(H,16,18)
InChIKeyVPRKVCZGDISGGG-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.56
Rot. Bonds3

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

N-[1-(3-chlorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104730907) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104730907
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC NameN-[1-(3-chlorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(Nc1nccn2nccc12)c1cccc(Cl)c1
InChIInChI=1S/C14H13ClN4/c1-10(11-3-2-4-12(15)9-11)18-14-13-5-6-17-19(13)8-7-16-14/h2-10H,1H3,(H,16,18)
InChIKeyVPRKVCZGDISGGG-UHFFFAOYSA-N
XLogP3.56
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730906
N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446272
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93417245
3-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-4-carbonitrile
CID 107057219
N-[1-(3-chlorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62903529
2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid
CID 60655016
N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106354243
N-(1-cyclopentylethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446364
4-methyl-2-N-pyrazolo[1,5-a]pyrazin-4-ylpentane-1,2-diamine
CID 113446473
N-(1-methylsulfonylpropan-2-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731650
5-chloro-N-[1-(3-chlorophenyl)ethyl]-6-(1-fluoroethyl)pyrimidin-4-amine
CID 19104016
(2S,3R,4S)-2-[8-[[(1R)-1-(3-chlorophenyl)ethyl]amino]imidazo[1,2-a]pyrazin-3-yl]thiolane-3,4-diol
CID 130226334

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-amine (CID 104730907) is N-[1-(3-chlorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-amine is CC(Nc1nccn2nccc12)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is VPRKVCZGDISGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c1-10(11-3-2-4-12(15)9-11)18-14-13-5-6-17-19(13)8-7-16-14/h2-10H,1H3,(H,16,18).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-amine?
N-[1-(3-chlorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 272.74 g/mol, XLogP of 3.56, 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]pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104730907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).